Organoheterocyclic compounds
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Isophthalic Acid 99.0+%, TCI America™
CAS: 121-91-5 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD00002516 InChI Key: QQVIHTHCMHWDBS-UHFFFAOYSA-N Synonym: isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj PubChem CID: 8496 ChEBI: CHEBI:30802 IUPAC Name: benzene-1,3-dicarboxylic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)O
| PubChem CID | 8496 |
|---|---|
| CAS | 121-91-5 |
| Molecular Weight (g/mol) | 166.132 |
| ChEBI | CHEBI:30802 |
| MDL Number | MFCD00002516 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| Synonym | isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj |
| IUPAC Name | benzene-1,3-dicarboxylic acid |
| InChI Key | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
1-Methylimidazole, 99%
CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1
| PubChem CID | 1390 |
|---|---|
| CAS | 616-47-7 |
| Molecular Weight (g/mol) | 82.11 |
| ChEBI | CHEBI:113454 |
| MDL Number | MFCD00005292 |
| SMILES | CN1C=CN=C1 |
| Synonym | 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole |
| InChI Key | MCTWTZJPVLRJOU-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
Span 60 (=Sorbitan Monostearate), TCI America™
CAS: 1338-41-6 Molecular Formula: C24H46O6 Molecular Weight (g/mol): 430.63 MDL Number: MFCD00005366,MFCD00005366 InChI Key: HVUMOYIDDBPOLL-IIZJTUPISA-N Synonym: sorbitan stearate,sorbitan stearate inn,span 60 tn,sorbitan monostearate nf PubChem CID: 23725022 IUPAC Name: 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O
| PubChem CID | 23725022 |
|---|---|
| CAS | 1338-41-6 |
| Molecular Weight (g/mol) | 430.63 |
| MDL Number | MFCD00005366,MFCD00005366 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O |
| Synonym | sorbitan stearate,sorbitan stearate inn,span 60 tn,sorbitan monostearate nf |
| IUPAC Name | 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate |
| InChI Key | HVUMOYIDDBPOLL-IIZJTUPISA-N |
| Molecular Formula | C24H46O6 |
5-Amino-2-methylbenzothiazole, 99%
CAS: 13382-43-9 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00226291 InChI Key: GPWQHYMVUZYWIK-UHFFFAOYSA-N Synonym: 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine PubChem CID: 36229 IUPAC Name: 2-methyl-1,3-benzothiazol-5-amine SMILES: CC1=NC2=CC(N)=CC=C2S1
| PubChem CID | 36229 |
|---|---|
| CAS | 13382-43-9 |
| Molecular Weight (g/mol) | 164.23 |
| MDL Number | MFCD00226291 |
| SMILES | CC1=NC2=CC(N)=CC=C2S1 |
| Synonym | 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine |
| IUPAC Name | 2-methyl-1,3-benzothiazol-5-amine |
| InChI Key | GPWQHYMVUZYWIK-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2S |
6-Thioguanine, 98%
CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 SMILES: NC1=NC(=S)C2=C(N1)N=CN2
| PubChem CID | 2723601 |
|---|---|
| CAS | 154-42-7 |
| Molecular Weight (g/mol) | 167.19 |
| ChEBI | CHEBI:9555 |
| MDL Number | MFCD00233553 |
| SMILES | NC1=NC(=S)C2=C(N1)N=CN2 |
| Synonym | 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol |
| InChI Key | WYWHKKSPHMUBEB-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5S |
Theobromine 98.0+%, TCI America™
CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
| PubChem CID | 5429 |
|---|---|
| CAS | 83-67-0 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28946 |
| MDL Number | MFCD00022830 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| Synonym | theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin |
| IUPAC Name | 3,7-dimethylpurine-2,6-dione |
| InChI Key | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
3',4'-(Methylenedioxy)acetophenone, 98%
CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2
| PubChem CID | 76622 |
|---|---|
| CAS | 3162-29-6 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00005831 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OCO2 |
| Synonym | 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)ethanone |
| InChI Key | BMHMKWXYXFBWMI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-Amino-7-(trifluoromethyl)quinoline, 98%
CAS: 243666-11-7 Molecular Formula: C10H7F3N2 Molecular Weight (g/mol): 212.175 MDL Number: MFCD00269411 InChI Key: QZOOIAOULGJTJI-UHFFFAOYSA-N Synonym: 4-amino-7-trifluoromethyl quinoline,7-trifluoromethyl quinolin-4-amine,4-amino-7-trifluoromethylquinoline,7-trifluoromethyl-4-quinolylamine,acmc-1capy,4-amino-7-trifluromethyl quinoline,7-trifluoromethyl-quinolin-4-ylamine,4-quinolinamine,7-trifluoromethyl,4-amino-7-trifluoromethoxylquinoline,7-trifluoromethyl-4-quinolinamine PubChem CID: 2735960 IUPAC Name: 7-(trifluoromethyl)quinolin-4-amine SMILES: C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N
| PubChem CID | 2735960 |
|---|---|
| CAS | 243666-11-7 |
| Molecular Weight (g/mol) | 212.175 |
| MDL Number | MFCD00269411 |
| SMILES | C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N |
| Synonym | 4-amino-7-trifluoromethyl quinoline,7-trifluoromethyl quinolin-4-amine,4-amino-7-trifluoromethylquinoline,7-trifluoromethyl-4-quinolylamine,acmc-1capy,4-amino-7-trifluromethyl quinoline,7-trifluoromethyl-quinolin-4-ylamine,4-quinolinamine,7-trifluoromethyl,4-amino-7-trifluoromethoxylquinoline,7-trifluoromethyl-4-quinolinamine |
| IUPAC Name | 7-(trifluoromethyl)quinolin-4-amine |
| InChI Key | QZOOIAOULGJTJI-UHFFFAOYSA-N |
| Molecular Formula | C10H7F3N2 |
N-Methylmaleimide, 97%
CAS: 930-88-1 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005508 InChI Key: SEEYREPSKCQBBF-UHFFFAOYSA-N Synonym: n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione PubChem CID: 70261 IUPAC Name: 1-methylpyrrole-2,5-dione SMILES: CN1C(=O)C=CC1=O
| PubChem CID | 70261 |
|---|---|
| CAS | 930-88-1 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00005508 |
| SMILES | CN1C(=O)C=CC1=O |
| Synonym | n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione |
| IUPAC Name | 1-methylpyrrole-2,5-dione |
| InChI Key | SEEYREPSKCQBBF-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
(±)-Propylene oxide, 99.5%, extra pure, AcroSeal™
CAS: 75-56-9 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00005126 InChI Key: GOOHAUXETOMSMM-UHFFFAOYNA-N Synonym: propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane PubChem CID: 6378 ChEBI: CHEBI:38685 IUPAC Name: 2-methyloxirane SMILES: CC1CO1
| PubChem CID | 6378 |
|---|---|
| CAS | 75-56-9 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:38685 |
| MDL Number | MFCD00005126 |
| SMILES | CC1CO1 |
| Synonym | propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane |
| IUPAC Name | 2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-UHFFFAOYNA-N |
| Molecular Formula | C3H6O |
N-Methylmaleimide 98.0+%, TCI America™
CAS: 930-88-1 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005508 InChI Key: SEEYREPSKCQBBF-UHFFFAOYSA-N Synonym: n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione PubChem CID: 70261 IUPAC Name: 1-methylpyrrole-2,5-dione SMILES: CN1C(=O)C=CC1=O
| PubChem CID | 70261 |
|---|---|
| CAS | 930-88-1 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00005508 |
| SMILES | CN1C(=O)C=CC1=O |
| Synonym | n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione |
| IUPAC Name | 1-methylpyrrole-2,5-dione |
| InChI Key | SEEYREPSKCQBBF-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
2-Picolylamine 98.0+%, TCI America™
CAS: 3731-51-9 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006360 InChI Key: WOXFMYVTSLAQMO-UHFFFAOYSA-N Synonym: 2-picolylamine,2-aminomethyl pyridine,2-pyridinemethanamine,2-aminomethylpyridine,2-pyridinemethylamine,2-pyridylmethylamine,2-picolinamine,2-pyridinemethaneamine,2-pyridylmethyl amine,pyridine, 2-aminomethyl PubChem CID: 19509 ChEBI: CHEBI:81387 IUPAC Name: 1-(pyridin-2-yl)methanamine SMILES: NCC1=CC=CC=N1
| PubChem CID | 19509 |
|---|---|
| CAS | 3731-51-9 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:81387 |
| MDL Number | MFCD00006360 |
| SMILES | NCC1=CC=CC=N1 |
| Synonym | 2-picolylamine,2-aminomethyl pyridine,2-pyridinemethanamine,2-aminomethylpyridine,2-pyridinemethylamine,2-pyridylmethylamine,2-picolinamine,2-pyridinemethaneamine,2-pyridylmethyl amine,pyridine, 2-aminomethyl |
| IUPAC Name | 1-(pyridin-2-yl)methanamine |
| InChI Key | WOXFMYVTSLAQMO-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2-Mercaptopyridine N-oxide sodium salt, 40% aq. soln.
CAS: 3811-73-2 Molecular Formula: C5H4NNaOS Molecular Weight (g/mol): 149.143 MDL Number: MFCD01941547 InChI Key: XNRNJIIJLOFJEK-UHFFFAOYSA-N Synonym: sodium omadine,sodium pyrithione,sodium 2-pyridylthio-n-oxide,pyrithione sodium salt,thione reagent,2-pyridinethiol-1-oxide sodium salt,2-mercaptopyridine n-oxide sodium salt,omadine sodium,sodium-2-pyridinethiol-1-oxide,sodium omadine van PubChem CID: 19658 IUPAC Name: sodium;1-oxidopyridine-2-thione SMILES: C1=CC(=S)N(C=C1)[O-].[Na+]
| PubChem CID | 19658 |
|---|---|
| CAS | 3811-73-2 |
| Molecular Weight (g/mol) | 149.143 |
| MDL Number | MFCD01941547 |
| SMILES | C1=CC(=S)N(C=C1)[O-].[Na+] |
| Synonym | sodium omadine,sodium pyrithione,sodium 2-pyridylthio-n-oxide,pyrithione sodium salt,thione reagent,2-pyridinethiol-1-oxide sodium salt,2-mercaptopyridine n-oxide sodium salt,omadine sodium,sodium-2-pyridinethiol-1-oxide,sodium omadine van |
| IUPAC Name | sodium;1-oxidopyridine-2-thione |
| InChI Key | XNRNJIIJLOFJEK-UHFFFAOYSA-N |
| Molecular Formula | C5H4NNaOS |
2,6-Diaminopyridine, 98%
CAS: 141-86-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006329 InChI Key: VHNQIURBCCNWDN-UHFFFAOYSA-N Synonym: 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 PubChem CID: 8861 IUPAC Name: pyridine-2,6-diamine SMILES: C1=CC(=NC(=C1)N)N
| PubChem CID | 8861 |
|---|---|
| CAS | 141-86-6 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006329 |
| SMILES | C1=CC(=NC(=C1)N)N |
| Synonym | 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 |
| IUPAC Name | pyridine-2,6-diamine |
| InChI Key | VHNQIURBCCNWDN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
2-Bromomethyl-6-methylpyridine, 97%
CAS: 68470-59-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD04967229 InChI Key: WJFDCFHWFHCLIW-UHFFFAOYSA-N Synonym: 2-bromomethyl-6-methylpyridine,pyridine, 2-bromomethyl-6-methyl,6-methyl-2-bromomethyl pyridine,2-bromomethyl-6-methyl-pyridine,6-bromomethyl-2-methylpyridine,pubchem22577,acmc-209ur7,2-methyl-6-bromomethyl-pyridine,2-bromomethyl-6-methyl pyridine PubChem CID: 12543733 IUPAC Name: 2-(bromomethyl)-6-methylpyridine SMILES: CC1=NC(CBr)=CC=C1
| PubChem CID | 12543733 |
|---|---|
| CAS | 68470-59-7 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD04967229 |
| SMILES | CC1=NC(CBr)=CC=C1 |
| Synonym | 2-bromomethyl-6-methylpyridine,pyridine, 2-bromomethyl-6-methyl,6-methyl-2-bromomethyl pyridine,2-bromomethyl-6-methyl-pyridine,6-bromomethyl-2-methylpyridine,pubchem22577,acmc-209ur7,2-methyl-6-bromomethyl-pyridine,2-bromomethyl-6-methyl pyridine |
| IUPAC Name | 2-(bromomethyl)-6-methylpyridine |
| InChI Key | WJFDCFHWFHCLIW-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |