Organoheterocyclic compounds
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5-Aminoimidazole-4-carboxamide 1-beta-D-ribofuranoside, 98%, Thermo Scientific Chemicals
CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
| PubChem CID | 17513 |
|---|---|
| CAS | 2627-69-2 |
| Molecular Weight (g/mol) | 258.23 |
| ChEBI | CHEBI:28498 |
| MDL Number | MFCD00869751 |
| SMILES | NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| Synonym | acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara |
| IUPAC Name | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide |
| InChI Key | RTRQQBHATOEIAF-UUOKFMHZSA-N |
| Molecular Formula | C9H14N4O5 |
Tazobactam sodium
CAS: 89785-84-2 Molecular Formula: C10H12N4NaO5S Molecular Weight (g/mol): 323.279 MDL Number: MFCD00917472 InChI Key: ZUNWFYFXHGWFRA-QVUDESDKSA-N Synonym: tazobactam sodium salt PubChem CID: 66636300 IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;sodium SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na]
| PubChem CID | 66636300 |
|---|---|
| CAS | 89785-84-2 |
| Molecular Weight (g/mol) | 323.279 |
| MDL Number | MFCD00917472 |
| SMILES | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na] |
| Synonym | tazobactam sodium salt |
| IUPAC Name | (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;sodium |
| InChI Key | ZUNWFYFXHGWFRA-QVUDESDKSA-N |
| Molecular Formula | C10H12N4NaO5S |
Niacin, Powder, USP, 98-102%, Spectrum™ Chemical
CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
| CAS | 59-67-6 |
|---|---|
| Molecular Weight (g/mol) | 123.11 |
| MDL Number | MFCD00006391 |
| SMILES | OC(=O)C1=CC=CN=C1 |
| IUPAC Name | pyridine-3-carboxylic acid |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
Allyl glycidyl ether, 99+%, AcroSeal™
CAS: 106-92-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00005143 InChI Key: LSWYGACWGAICNM-UHFFFAOYSA-N Synonym: allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi PubChem CID: 7838 IUPAC Name: 2-(prop-2-enoxymethyl)oxirane SMILES: C=CCOCC1CO1
| PubChem CID | 7838 |
|---|---|
| CAS | 106-92-3 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00005143 |
| SMILES | C=CCOCC1CO1 |
| Synonym | allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi |
| IUPAC Name | 2-(prop-2-enoxymethyl)oxirane |
| InChI Key | LSWYGACWGAICNM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Povidone, K-90, USP, Spectrum™ Chemical
CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| CAS | 9003-39-8 |
|---|---|
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
4-Picoline, 98%
CAS: 108-89-4 Molecular Formula: C6H7N Molecular Weight (g/mol): 93.129 MDL Number: MFCD00006440 InChI Key: FKNQCJSGGFJEIZ-UHFFFAOYSA-N Synonym: 4-picoline,pyridine, 4-methyl,p-picoline,gamma-picoline,p-methylpyridine,4-methyl-pyridine,gamma-methylpyridine,unii-tjd6v9sso7,.gamma.-picoline,4-mepy PubChem CID: 7963 ChEBI: CHEBI:32547 IUPAC Name: 4-methylpyridine SMILES: CC1=CC=NC=C1
| PubChem CID | 7963 |
|---|---|
| CAS | 108-89-4 |
| Molecular Weight (g/mol) | 93.129 |
| ChEBI | CHEBI:32547 |
| MDL Number | MFCD00006440 |
| SMILES | CC1=CC=NC=C1 |
| Synonym | 4-picoline,pyridine, 4-methyl,p-picoline,gamma-picoline,p-methylpyridine,4-methyl-pyridine,gamma-methylpyridine,unii-tjd6v9sso7,.gamma.-picoline,4-mepy |
| IUPAC Name | 4-methylpyridine |
| InChI Key | FKNQCJSGGFJEIZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7N |
Phenylboronic acid pinacol ester, 97%
CAS: 24388-23-6 Molecular Formula: C12H17BO2 Molecular Weight (g/mol): 204.08 MDL Number: MFCD00966985 MFCD31699955 InChI Key: KKLCYBZPQDOFQK-UHFFFAOYSA-N Synonym: phenylboronic acid pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene,phenylboronic acid, pinacol ester,2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzeneboronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-phenyl,acmc-209gbq,phenylboronic pinacol ester,phenylboronicacidpinacolester,pinacolboryl benzene PubChem CID: 570673 IUPAC Name: 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1
| PubChem CID | 570673 |
|---|---|
| CAS | 24388-23-6 |
| Molecular Weight (g/mol) | 204.08 |
| MDL Number | MFCD00966985 MFCD31699955 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1 |
| Synonym | phenylboronic acid pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene,phenylboronic acid, pinacol ester,2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzeneboronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-phenyl,acmc-209gbq,phenylboronic pinacol ester,phenylboronicacidpinacolester,pinacolboryl benzene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane |
| InChI Key | KKLCYBZPQDOFQK-UHFFFAOYSA-N |
| Molecular Formula | C12H17BO2 |
1,1'-Diethyl-2,2'-carbocyanine iodide, 96%
CAS: 605-91-4 Molecular Formula: C25H25IN2 Molecular Weight (g/mol): 480.39 MDL Number: MFCD00011975 InChI Key: QWYZFXLSWMXLDM-UHFFFAOYSA-M Synonym: carbocyanine,pinacyanole,pinacyanol iodide,sensitol red,pinacyanol,eastman kodak 622,quinaldine blue,dsstox_cid_26576,dsstox_rid_81735,dsstox_gsid_46576 PubChem CID: 5709754 ChEBI: CHEBI:52218 SMILES: [I-].CCN1C(=CC=CC2=CC=C3C=CC=CC3=[N+]2CC)C=CC2=CC=CC=C12
| PubChem CID | 5709754 |
|---|---|
| CAS | 605-91-4 |
| Molecular Weight (g/mol) | 480.39 |
| ChEBI | CHEBI:52218 |
| MDL Number | MFCD00011975 |
| SMILES | [I-].CCN1C(=CC=CC2=CC=C3C=CC=CC3=[N+]2CC)C=CC2=CC=CC=C12 |
| Synonym | carbocyanine,pinacyanole,pinacyanol iodide,sensitol red,pinacyanol,eastman kodak 622,quinaldine blue,dsstox_cid_26576,dsstox_rid_81735,dsstox_gsid_46576 |
| InChI Key | QWYZFXLSWMXLDM-UHFFFAOYSA-M |
| Molecular Formula | C25H25IN2 |
7-Methyl-1,2,3,4-tetrahydro-1,8-naphthyridine, 95%, Thermo Scientific Chemicals
CAS: 274676-47-0 Molecular Formula: C9H12N2 Molecular Weight (g/mol): 148.209 MDL Number: MFCD06739289 InChI Key: HBWCJMBLUCNJIS-UHFFFAOYSA-N Synonym: 2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine,7-methyl-1,2,3,4-tetrahydro-1,8 naphthyridine,7-methyl-1,2,3,4-tetrahydropyridino 2,3-b pyridine,1,2,3,4-tetrahydro-7-methyl-1,8-naphthyridine,1,8-naphthyridine, 1,2,3,4-tetrahydro-7-methyl-9ci PubChem CID: 22319466 IUPAC Name: 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine SMILES: CC1=NC2=C(CCCN2)C=C1
| PubChem CID | 22319466 |
|---|---|
| CAS | 274676-47-0 |
| Molecular Weight (g/mol) | 148.209 |
| MDL Number | MFCD06739289 |
| SMILES | CC1=NC2=C(CCCN2)C=C1 |
| Synonym | 2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine,7-methyl-1,2,3,4-tetrahydro-1,8 naphthyridine,7-methyl-1,2,3,4-tetrahydropyridino 2,3-b pyridine,1,2,3,4-tetrahydro-7-methyl-1,8-naphthyridine,1,8-naphthyridine, 1,2,3,4-tetrahydro-7-methyl-9ci |
| IUPAC Name | 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine |
| InChI Key | HBWCJMBLUCNJIS-UHFFFAOYSA-N |
| Molecular Formula | C9H12N2 |
Furan-2,5-dicarboxylic acid, 98%
CAS: 3238-40-2 Molecular Formula: C6H4O5 Molecular Weight (g/mol): 156.09 MDL Number: MFCD00016582 InChI Key: CHTHALBTIRVDBM-UHFFFAOYSA-N Synonym: 2,5-furandicarboxylic acid,dehydromucic acid,furan-2,5-dicarbonsaeure,2,5-furandicarboxylicacid,2,5-furandicarboxylate,furane-alpha,alpha'-dicarboxylic acid,furan 2,5-dicarboxylic acid,furan-2,5-dicarboxylate,furane-.alpha.,.alpha.'-dicarboxylic acid,2,5 furan dicarboxylic acid PubChem CID: 76720 ChEBI: CHEBI:84212 IUPAC Name: furan-2,5-dicarboxylic acid SMILES: OC(=O)C1=CC=C(O1)C(O)=O
| PubChem CID | 76720 |
|---|---|
| CAS | 3238-40-2 |
| Molecular Weight (g/mol) | 156.09 |
| ChEBI | CHEBI:84212 |
| MDL Number | MFCD00016582 |
| SMILES | OC(=O)C1=CC=C(O1)C(O)=O |
| Synonym | 2,5-furandicarboxylic acid,dehydromucic acid,furan-2,5-dicarbonsaeure,2,5-furandicarboxylicacid,2,5-furandicarboxylate,furane-alpha,alpha'-dicarboxylic acid,furan 2,5-dicarboxylic acid,furan-2,5-dicarboxylate,furane-.alpha.,.alpha.'-dicarboxylic acid,2,5 furan dicarboxylic acid |
| IUPAC Name | furan-2,5-dicarboxylic acid |
| InChI Key | CHTHALBTIRVDBM-UHFFFAOYSA-N |
| Molecular Formula | C6H4O5 |
N,N,N',N'-Tetramethyl-O-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate, 98+%, Thermo Scientific Chemicals
CAS: 125700-69-8 Molecular Formula: C12H16BF4N5O2 Molecular Weight (g/mol): 349.10 MDL Number: MFCD00077730 InChI Key: FOBCPCIJLQTYBT-UHFFFAOYSA-N Synonym: tdbtu,n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,1,1,3,3-tetramethyl-2-4-oxobenzo d 1,2,3 triazin-3 4h-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluroniumtetrafluoroborate,tdbtu; n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,dimethylamino 4-oxo-1,2,3-benzotriazin-3-yl oxy methylidene dimethylazanium tetrafluoroborate,pubchem12760,acmc-1cac0,d04fkx PubChem CID: 10882602 IUPAC Name: [dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C(ON1N=NC2=CC=CC=C2C1=O)=[N+](C)C
| PubChem CID | 10882602 |
|---|---|
| CAS | 125700-69-8 |
| Molecular Weight (g/mol) | 349.10 |
| MDL Number | MFCD00077730 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1N=NC2=CC=CC=C2C1=O)=[N+](C)C |
| Synonym | tdbtu,n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,1,1,3,3-tetramethyl-2-4-oxobenzo d 1,2,3 triazin-3 4h-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluroniumtetrafluoroborate,tdbtu; n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,dimethylamino 4-oxo-1,2,3-benzotriazin-3-yl oxy methylidene dimethylazanium tetrafluoroborate,pubchem12760,acmc-1cac0,d04fkx |
| IUPAC Name | [dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate |
| InChI Key | FOBCPCIJLQTYBT-UHFFFAOYSA-N |
| Molecular Formula | C12H16BF4N5O2 |
N-(tert-Butoxycarbonyloxy)succinimide, 98+%
CAS: 13139-12-3 Molecular Formula: C9H13NO5 Molecular Weight (g/mol): 215.205 MDL Number: MFCD00037903 InChI Key: VTGFSVGZCYYHLO-UHFFFAOYSA-N Synonym: boc-osu,tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate,tert-butyl n-succinimidyl carbonate,n-tert-butoxycarbonyloxy succinimide,tert-butyl succinimido carbonate,1-tert-butoxycarbonyl oxy pyrrolidine-2,5-dione,2,5-pyrrolidinedione, 1-1,1-dimethylethoxy carbonyl oxy,carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester,boc-osu, tert-butyl n-succinimidyl carbonate,n-tert-butoxycarbonyloxy succinimide boc-osu PubChem CID: 83168 IUPAC Name: tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate SMILES: CC(C)(C)OC(=O)ON1C(=O)CCC1=O
| PubChem CID | 83168 |
|---|---|
| CAS | 13139-12-3 |
| Molecular Weight (g/mol) | 215.205 |
| MDL Number | MFCD00037903 |
| SMILES | CC(C)(C)OC(=O)ON1C(=O)CCC1=O |
| Synonym | boc-osu,tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate,tert-butyl n-succinimidyl carbonate,n-tert-butoxycarbonyloxy succinimide,tert-butyl succinimido carbonate,1-tert-butoxycarbonyl oxy pyrrolidine-2,5-dione,2,5-pyrrolidinedione, 1-1,1-dimethylethoxy carbonyl oxy,carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester,boc-osu, tert-butyl n-succinimidyl carbonate,n-tert-butoxycarbonyloxy succinimide boc-osu |
| IUPAC Name | tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate |
| InChI Key | VTGFSVGZCYYHLO-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO5 |
1-Methyl-3-n-octylimidazolium chloride, 97%
CAS: 64697-40-1 Molecular Formula: C12H23ClN2 Molecular Weight (g/mol): 230.78 MDL Number: MFCD03095432 InChI Key: OXFBEEDAZHXDHB-UHFFFAOYSA-M Synonym: 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j PubChem CID: 2734223 ChEBI: CHEBI:61342 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;chloride SMILES: [Cl-].CCCCCCCCN1C=C[N+](C)=C1
| PubChem CID | 2734223 |
|---|---|
| CAS | 64697-40-1 |
| Molecular Weight (g/mol) | 230.78 |
| ChEBI | CHEBI:61342 |
| MDL Number | MFCD03095432 |
| SMILES | [Cl-].CCCCCCCCN1C=C[N+](C)=C1 |
| Synonym | 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j |
| IUPAC Name | 1-methyl-3-octylimidazol-1-ium;chloride |
| InChI Key | OXFBEEDAZHXDHB-UHFFFAOYSA-M |
| Molecular Formula | C12H23ClN2 |
1-Ethyl-3-methylimidazolium acetate, 97%
CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]
| PubChem CID | 11658353 |
|---|---|
| CAS | 143314-17-4 |
| Molecular Weight (g/mol) | 170.212 |
| MDL Number | MFCD06798186 |
| SMILES | CCN1C=C[N+](=C1)C.CC(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;acetate |
| InChI Key | XIYUIMLQTKODPS-UHFFFAOYSA-M |
| Molecular Formula | C8H14N2O2 |
2,1,3-Benzothiadiazole, 98%, Thermo Scientific Chemicals
CAS: 273-13-2 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00005809 InChI Key: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC Name: 2,1,3-benzothiadiazole SMILES: C1=CC2=NSN=C2C=C1
| PubChem CID | 67502 |
|---|---|
| CAS | 273-13-2 |
| Molecular Weight (g/mol) | 136.172 |
| MDL Number | MFCD00005809 |
| SMILES | C1=CC2=NSN=C2C=C1 |
| Synonym | piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole |
| IUPAC Name | 2,1,3-benzothiadiazole |
| InChI Key | PDQRQJVPEFGVRK-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2S |