Organoheterocyclic compounds
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2,1,3-Benzothiadiazole-4-sulfonyl chloride, 97%, Thermo Scientific™
CAS: 73713-79-8 Molecular Formula: C6H3ClN2O2S2 Molecular Weight (g/mol): 234.67 MDL Number: MFCD00068049 InChI Key: CXAICGCTHOWKPP-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride PubChem CID: 2735459 IUPAC Name: 2,1,3-benzothiadiazole-4-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=CC2=NSN=C12
| PubChem CID | 2735459 |
|---|---|
| CAS | 73713-79-8 |
| Molecular Weight (g/mol) | 234.67 |
| MDL Number | MFCD00068049 |
| SMILES | ClS(=O)(=O)C1=CC=CC2=NSN=C12 |
| Synonym | benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride |
| IUPAC Name | 2,1,3-benzothiadiazole-4-sulfonyl chloride |
| InChI Key | CXAICGCTHOWKPP-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClN2O2S2 |
1H-1,2,3-Triazole, 98%
CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00014490 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1
| PubChem CID | 67516 |
|---|---|
| CAS | 288-36-8 |
| Molecular Weight (g/mol) | 69.067 |
| ChEBI | CHEBI:35565 |
| MDL Number | MFCD00014490 |
| SMILES | C1=NNN=C1 |
| Synonym | 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole |
| IUPAC Name | 2H-triazole |
| InChI Key | QWENRTYMTSOGBR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
Tetramisole hydrochloride, 99.6%, MP Biomedicals™
CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 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 |
| 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 |
1,6-Naphthyridin-2(1H)-one, 97%, Thermo Scientific Chemicals
CAS: 23616-29-7 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD07781179 InChI Key: ZQKMVHXJWJNEQG-UHFFFAOYSA-N Synonym: 1,6-naphthyridin-2 1h-one,acmc-1cgmu,pyrido 3,2-c pyridone,hydroxy-1,6-naphthyridine,1,6-naphthyridine-2-one,2-hydroxy-1,6-naphthyridine,1,6 naphthyridin-2-ol #,1h-1,6 naphthyridin-2-one PubChem CID: 589674 IUPAC Name: 1H-1,6-naphthyridin-2-one SMILES: O=C1NC2=CC=NC=C2C=C1
| PubChem CID | 589674 |
|---|---|
| CAS | 23616-29-7 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD07781179 |
| SMILES | O=C1NC2=CC=NC=C2C=C1 |
| Synonym | 1,6-naphthyridin-2 1h-one,acmc-1cgmu,pyrido 3,2-c pyridone,hydroxy-1,6-naphthyridine,1,6-naphthyridine-2-one,2-hydroxy-1,6-naphthyridine,1,6 naphthyridin-2-ol #,1h-1,6 naphthyridin-2-one |
| IUPAC Name | 1H-1,6-naphthyridin-2-one |
| InChI Key | ZQKMVHXJWJNEQG-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
3,3-Dimethylglutaric anhydride, 97%
CAS: 4160-82-1 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00006684 InChI Key: HIJQFTSZBHDYKW-UHFFFAOYSA-N Synonym: 3,3-dimethylglutaric anhydride,2h-pyran-2,6 3h-dione, dihydro-4,4-dimethyl,4,4-dimethyldihydro-2h-pyran-2,6 3h-dione,glutaric anhydride, 3,3-dimethyl,3,3-dimethylglutaricanhydride,glutaric anhydride, beta,beta-dimethyl,acmc-1adve,dihydro-4,4-dimethyl-2h-pyran-2,6 3h-dione,3,3-dimethyladipic anhydride,3,3 dimethylglutaric anhydride PubChem CID: 77813 IUPAC Name: 4,4-dimethyloxane-2,6-dione SMILES: CC1(CC(=O)OC(=O)C1)C
| PubChem CID | 77813 |
|---|---|
| CAS | 4160-82-1 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00006684 |
| SMILES | CC1(CC(=O)OC(=O)C1)C |
| Synonym | 3,3-dimethylglutaric anhydride,2h-pyran-2,6 3h-dione, dihydro-4,4-dimethyl,4,4-dimethyldihydro-2h-pyran-2,6 3h-dione,glutaric anhydride, 3,3-dimethyl,3,3-dimethylglutaricanhydride,glutaric anhydride, beta,beta-dimethyl,acmc-1adve,dihydro-4,4-dimethyl-2h-pyran-2,6 3h-dione,3,3-dimethyladipic anhydride,3,3 dimethylglutaric anhydride |
| IUPAC Name | 4,4-dimethyloxane-2,6-dione |
| InChI Key | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
5-Amino-1,3-dimethyl-1H-pyrazole, 98%
CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC Name: 2,5-dimethylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C
| PubChem CID | 520721 |
|---|---|
| CAS | 3524-32-1 |
| Molecular Weight (g/mol) | 111.148 |
| MDL Number | MFCD00051651 |
| SMILES | CC1=NN(C(=C1)N)C |
| Synonym | 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole |
| IUPAC Name | 2,5-dimethylpyrazol-3-amine |
| InChI Key | ZFDGMMZLXSFNFU-UHFFFAOYSA-N |
| Molecular Formula | C5H9N3 |
Furfuryl mercaptan, 98+%
CAS: 98-02-2 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.162 MDL Number: MFCD00003254 InChI Key: ZFFTZDQKIXPDAF-UHFFFAOYSA-N Synonym: furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol PubChem CID: 7363 IUPAC Name: furan-2-ylmethanethiol SMILES: C1=COC(=C1)CS
| PubChem CID | 7363 |
|---|---|
| CAS | 98-02-2 |
| Molecular Weight (g/mol) | 114.162 |
| MDL Number | MFCD00003254 |
| SMILES | C1=COC(=C1)CS |
| Synonym | furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol |
| IUPAC Name | furan-2-ylmethanethiol |
| InChI Key | ZFFTZDQKIXPDAF-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
5-Nitro-2-furaldehyde, 99%
CAS: 698-63-5 Molecular Formula: C5H3NO4 MDL Number: MFCD00003230 InChI Key: SXINBFXPADXIEY-UHFFFAOYSA-N Synonym: 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro PubChem CID: 12774 ChEBI: CHEBI:34459 IUPAC Name: 5-nitrofuran-2-carbaldehyde
| PubChem CID | 12774 |
|---|---|
| CAS | 698-63-5 |
| ChEBI | CHEBI:34459 |
| MDL Number | MFCD00003230 |
| Synonym | 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro |
| IUPAC Name | 5-nitrofuran-2-carbaldehyde |
| InChI Key | SXINBFXPADXIEY-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO4 |
1-Ethyl-3-methylimidazolium bromide, 98+%
CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide SMILES: [Br-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734235 |
|---|---|
| CAS | 65039-08-9 |
| Molecular Weight (g/mol) | 191.07 |
| MDL Number | MFCD03427610 |
| SMILES | [Br-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;bromide |
| InChI Key | GWQYPLXGJIXMMV-UHFFFAOYSA-M |
| Molecular Formula | C6H11BrN2 |
4-Hydroxyisophthalic Acid, 98%, Spectrum™ Chemical
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CAS: 636-46-4 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.13 InChI Key: BCEQKAQCUWUNML-UHFFFAOYSA-N IUPAC Name: 4-hydroxybenzene-1,3-dicarboxylic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)C(O)=O
| CAS | 636-46-4 |
|---|---|
| Molecular Weight (g/mol) | 182.13 |
| SMILES | OC(=O)C1=CC=C(O)C(=C1)C(O)=O |
| IUPAC Name | 4-hydroxybenzene-1,3-dicarboxylic acid |
| InChI Key | BCEQKAQCUWUNML-UHFFFAOYSA-N |
| Molecular Formula | C8H6O5 |
1-Ethylpyridinium bromide, 99%
CAS: 1906-79-2 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00041999 InChI Key: ABFDKXBSQCTIKH-UHFFFAOYSA-M Synonym: 1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide PubChem CID: 15927 IUPAC Name: 1-ethylpyridin-1-ium;bromide SMILES: CC[N+]1=CC=CC=C1.[Br-]
| PubChem CID | 15927 |
|---|---|
| CAS | 1906-79-2 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00041999 |
| SMILES | CC[N+]1=CC=CC=C1.[Br-] |
| Synonym | 1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide |
| IUPAC Name | 1-ethylpyridin-1-ium;bromide |
| InChI Key | ABFDKXBSQCTIKH-UHFFFAOYSA-M |
| Molecular Formula | C7H10BrN |
5-Fluorouracil, >99%, MP Biomedicals™
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,5-fluoropyrimidine-2,4 1h,3h-dione PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| PubChem CID | 3385 |
|---|---|
| CAS | 51-21-8 |
| Molecular Weight (g/mol) | 130.08 |
| ChEBI | CHEBI:46345 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| Synonym | 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,5-fluoropyrimidine-2,4 1h,3h-dione |
| IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
3-Fluoro-2-methylpyridine, 98%
CAS: 15931-15-4 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD08705710 InChI Key: IRIHSZDBTACXCT-UHFFFAOYSA-N Synonym: 3-fluoro-2-picoline,pyridine, 3-fluoro-2-methyl,2-methyl-3-fluoropyridine,3-fluoro-2-methyl pyridine,3-fluoro-2-methyl-pyridine,fluoropicoline,pubchem14381,acmc-209xci,ksc530a3b,pyridine,3-fluoro-2-methyl PubChem CID: 21613172 IUPAC Name: 3-fluoro-2-methylpyridine SMILES: CC1=C(C=CC=N1)F
| PubChem CID | 21613172 |
|---|---|
| CAS | 15931-15-4 |
| Molecular Weight (g/mol) | 111.119 |
| MDL Number | MFCD08705710 |
| SMILES | CC1=C(C=CC=N1)F |
| Synonym | 3-fluoro-2-picoline,pyridine, 3-fluoro-2-methyl,2-methyl-3-fluoropyridine,3-fluoro-2-methyl pyridine,3-fluoro-2-methyl-pyridine,fluoropicoline,pubchem14381,acmc-209xci,ksc530a3b,pyridine,3-fluoro-2-methyl |
| IUPAC Name | 3-fluoro-2-methylpyridine |
| InChI Key | IRIHSZDBTACXCT-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
DL-Aminoglutethimide, 99%
CAS: 125-84-8 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 MDL Number: MFCD00010122 InChI Key: ROBVIMPUHSLWNV-UHFFFAOYSA-N Synonym: aminoglutethimide,dl-aminoglutethimide,cytadren,orimeten,p-aminoglutethimide,elipten,3-4-aminophenyl-3-ethylpiperidine-2,6-dione,aminoglutetimida,3-4-aminophenyl-3-ethyl-2,6-piperidinedione,aminoglutethimidum PubChem CID: 2145 ChEBI: CHEBI:2654 IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione SMILES: CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
| PubChem CID | 2145 |
|---|---|
| CAS | 125-84-8 |
| Molecular Weight (g/mol) | 232.283 |
| ChEBI | CHEBI:2654 |
| MDL Number | MFCD00010122 |
| SMILES | CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N |
| Synonym | aminoglutethimide,dl-aminoglutethimide,cytadren,orimeten,p-aminoglutethimide,elipten,3-4-aminophenyl-3-ethylpiperidine-2,6-dione,aminoglutetimida,3-4-aminophenyl-3-ethyl-2,6-piperidinedione,aminoglutethimidum |
| IUPAC Name | 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione |
| InChI Key | ROBVIMPUHSLWNV-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O2 |