Organoheterocyclic compounds
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3-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™
CAS: 876728-37-9 Molecular Formula: C10H8N4 Molecular Weight (g/mol): 184.20 MDL Number: MFCD08271931 InChI Key: ZYQNZNVPCHZDLT-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzonitrile,3-1,2,4-triazol-1-ylmethyl benzonitrile,3-1h-1,2,4-triazol-1-yl methyl benzonitrile,3-1,2,4-triazolylmethyl benzenecarbonitrile,benzonitrile,3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 22360594 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzonitrile SMILES: N#CC1=CC(CN2C=NC=N2)=CC=C1
| PubChem CID | 22360594 |
|---|---|
| CAS | 876728-37-9 |
| Molecular Weight (g/mol) | 184.20 |
| MDL Number | MFCD08271931 |
| SMILES | N#CC1=CC(CN2C=NC=N2)=CC=C1 |
| Synonym | 3-1h-1,2,4-triazol-1-ylmethyl benzonitrile,3-1,2,4-triazol-1-ylmethyl benzonitrile,3-1h-1,2,4-triazol-1-yl methyl benzonitrile,3-1,2,4-triazolylmethyl benzenecarbonitrile,benzonitrile,3-1h-1,2,4-triazol-1-ylmethyl |
| IUPAC Name | 3-(1,2,4-triazol-1-ylmethyl)benzonitrile |
| InChI Key | ZYQNZNVPCHZDLT-UHFFFAOYSA-N |
| Molecular Formula | C10H8N4 |
Polyvinylpyrrolidone K-15, Spectrum™ Chemical
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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 |
3,4-Methylenedioxynitrobenzene, Spectrum™ Chemical
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CAS: 2620-44-2
| CAS | 2620-44-2 |
|---|
Theophylline, 99.51%, MP Biomedicals™
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
| PubChem CID | 2153 |
|---|---|
| CAS | 58-55-9 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28177 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Synonym | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
| IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
Thieno[2,3-b]pyridin-2-ylmethanol, 97%, Thermo Scientific™
CAS: 131337-81-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD07772792 InChI Key: XLUKSWZEEAGBDH-UHFFFAOYSA-N Synonym: thieno 2,3-b pyridin-2-ylmethanol,thieno 2,3-b pyridine-2-methanol,thieno 2,3-b pyridin-2-yl methanol,acmc-1bz5x,thieno 2,3-b pyridine-2-ylmethanol,2-hydroxymethylthieno 2,3-b pyridine,thiopheno 2,3-b pyridin-2-ylmethan-1-ol PubChem CID: 7162092 IUPAC Name: thieno[2,3-b]pyridin-2-ylmethanol SMILES: C1=CC2=C(N=C1)SC(=C2)CO
| PubChem CID | 7162092 |
|---|---|
| CAS | 131337-81-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD07772792 |
| SMILES | C1=CC2=C(N=C1)SC(=C2)CO |
| Synonym | thieno 2,3-b pyridin-2-ylmethanol,thieno 2,3-b pyridine-2-methanol,thieno 2,3-b pyridin-2-yl methanol,acmc-1bz5x,thieno 2,3-b pyridine-2-ylmethanol,2-hydroxymethylthieno 2,3-b pyridine,thiopheno 2,3-b pyridin-2-ylmethan-1-ol |
| IUPAC Name | thieno[2,3-b]pyridin-2-ylmethanol |
| InChI Key | XLUKSWZEEAGBDH-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
Thieno[2,3-b]pyridine-2-carbaldehyde, ≥97%, Thermo Scientific™
CAS: 53174-98-4 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD07772791 InChI Key: HGZQKYOLRLVMHZ-UHFFFAOYSA-N Synonym: thieno 2,3-b pyridine-2-carbaldehyde,thieno 2,3-b pyridine-2-carboxaldehyde,2-formylthieno 2,3-b pyridine,thiopheno 2,3-b pyridine-2-carbaldehyde PubChem CID: 289925 IUPAC Name: thieno[2,3-b]pyridine-2-carbaldehyde SMILES: C1=CC2=C(N=C1)SC(=C2)C=O
| PubChem CID | 289925 |
|---|---|
| CAS | 53174-98-4 |
| Molecular Weight (g/mol) | 163.194 |
| MDL Number | MFCD07772791 |
| SMILES | C1=CC2=C(N=C1)SC(=C2)C=O |
| Synonym | thieno 2,3-b pyridine-2-carbaldehyde,thieno 2,3-b pyridine-2-carboxaldehyde,2-formylthieno 2,3-b pyridine,thiopheno 2,3-b pyridine-2-carbaldehyde |
| IUPAC Name | thieno[2,3-b]pyridine-2-carbaldehyde |
| InChI Key | HGZQKYOLRLVMHZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NOS |
Thieno[2,3-b]pyridine-2-carboxylic acid, 95%, Thermo Scientific™
CAS: 59944-76-2 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.193 MDL Number: MFCD07371381 InChI Key: XGCSHAYMNOFFNA-UHFFFAOYSA-N Synonym: thieno 2,3-b pyridine-2-carboxylic acid,thieno 2,3-b pyridine-2-carboxylicacid,2-carboxythieno 2,3-b pyridine,thiopheno 2,3-b pyridine-2-carboxylic acid,hieno 2,3-b pyridine-2-carboxylic acid PubChem CID: 7162095 IUPAC Name: thieno[2,3-b]pyridine-2-carboxylic acid SMILES: C1=CC2=C(N=C1)SC(=C2)C(=O)O
| PubChem CID | 7162095 |
|---|---|
| CAS | 59944-76-2 |
| Molecular Weight (g/mol) | 179.193 |
| MDL Number | MFCD07371381 |
| SMILES | C1=CC2=C(N=C1)SC(=C2)C(=O)O |
| Synonym | thieno 2,3-b pyridine-2-carboxylic acid,thieno 2,3-b pyridine-2-carboxylicacid,2-carboxythieno 2,3-b pyridine,thiopheno 2,3-b pyridine-2-carboxylic acid,hieno 2,3-b pyridine-2-carboxylic acid |
| IUPAC Name | thieno[2,3-b]pyridine-2-carboxylic acid |
| InChI Key | XGCSHAYMNOFFNA-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2S |
2,4-Diphenyl-1,3-thiazole-5-sulfonyl chloride, ≥97%, Thermo Scientific™
CAS: 868755-57-1 Molecular Formula: C15H10ClNO2S2 Molecular Weight (g/mol): 335.82 MDL Number: MFCD08271911 InChI Key: AWNJOBYLGNWNCQ-UHFFFAOYSA-N Synonym: diphenyl-1,3-thiazole-5-sulfonyl chloride,2,4-diphenylthiazole-5-sulfonyl chloride,5-thiazolesulfonylchloride, 2,4-diphenyl,5-chlorosulphonyl-2,4-diphenyl-1,3-thiazole PubChem CID: 18525757 SMILES: ClS(=O)(=O)C1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 18525757 |
|---|---|
| CAS | 868755-57-1 |
| Molecular Weight (g/mol) | 335.82 |
| MDL Number | MFCD08271911 |
| SMILES | ClS(=O)(=O)C1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyl-1,3-thiazole-5-sulfonyl chloride,2,4-diphenylthiazole-5-sulfonyl chloride,5-thiazolesulfonylchloride, 2,4-diphenyl,5-chlorosulphonyl-2,4-diphenyl-1,3-thiazole |
| InChI Key | AWNJOBYLGNWNCQ-UHFFFAOYSA-N |
| Molecular Formula | C15H10ClNO2S2 |
5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™
CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1
| PubChem CID | 2795418 |
|---|---|
| CAS | 499770-76-2 |
| Molecular Weight (g/mol) | 226.077 |
| SMILES | CN1C2=C(C=C(C=C2)CBr)N=N1 |
| Synonym | 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole |
| IUPAC Name | 5-(bromomethyl)-1-methylbenzotriazole |
| InChI Key | OSUZHHPMRAIJDY-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrN3 |
2-(1H-1,2,4-triazol-1-ylmethyl)aniline, 97%, Thermo Scientific™
CAS: 127988-21-0 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD09025845 InChI Key: CBGQHZNXHUCAGE-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl aniline,2-1,2,4-triazol-1-yl methyl aniline,2-1,2,4-triazol-1-ylmethyl aniline,2-1h-1,2,4-triazol-1-ylmethyl benzeneamine,benzenamine,2-1h-1,2,4-triazol-1-ylmethyl,acmc-20msof,2-1,2,4-triazolylmethyl phenylamine PubChem CID: 6482003 IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)N
| PubChem CID | 6482003 |
|---|---|
| CAS | 127988-21-0 |
| Molecular Weight (g/mol) | 174.207 |
| MDL Number | MFCD09025845 |
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)N |
| Synonym | 2-1h-1,2,4-triazol-1-ylmethyl aniline,2-1,2,4-triazol-1-yl methyl aniline,2-1,2,4-triazol-1-ylmethyl aniline,2-1h-1,2,4-triazol-1-ylmethyl benzeneamine,benzenamine,2-1h-1,2,4-triazol-1-ylmethyl,acmc-20msof,2-1,2,4-triazolylmethyl phenylamine |
| IUPAC Name | 2-(1,2,4-triazol-1-ylmethyl)aniline |
| InChI Key | CBGQHZNXHUCAGE-UHFFFAOYSA-N |
| Molecular Formula | C9H10N4 |
Benzotriazole, Spectrum™ Chemical
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CAS: 95-14-7
| CAS | 95-14-7 |
|---|
Thermo Scientific Chemicals Myclobutanil
CAS: 88671-89-0 Molecular Formula: C15H17ClN4 Molecular Weight (g/mol): 288.78 InChI Key: HZJKXKUJVSEEFU-UHFFFAOYNA-N IUPAC Name: 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile SMILES: CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
| CAS | 88671-89-0 |
|---|---|
| Molecular Weight (g/mol) | 288.78 |
| SMILES | CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 |
| IUPAC Name | 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile |
| InChI Key | HZJKXKUJVSEEFU-UHFFFAOYNA-N |
| Molecular Formula | C15H17ClN4 |
(2-Methyl-1,3-thiazol-4-yl)methylamine, 97%, Thermo Scientific™
CAS: 103694-26-4 Molecular Formula: C5H8N2S Molecular Weight (g/mol): 128.193 MDL Number: MFCD06212804 InChI Key: ZCKAEFOHSOQKHN-UHFFFAOYSA-N Synonym: 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine PubChem CID: 18467479 IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methanamine SMILES: CC1=NC(=CS1)CN
| PubChem CID | 18467479 |
|---|---|
| CAS | 103694-26-4 |
| Molecular Weight (g/mol) | 128.193 |
| MDL Number | MFCD06212804 |
| SMILES | CC1=NC(=CS1)CN |
| Synonym | 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine |
| IUPAC Name | (2-methyl-1,3-thiazol-4-yl)methanamine |
| InChI Key | ZCKAEFOHSOQKHN-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2S |
3,5-Dimethyl-4H-1,2,4-triazol-4-amine, 97%, Thermo Scientific™
CAS: 3530-15-2 Molecular Formula: C4H8N4 Molecular Weight (g/mol): 112.136 MDL Number: MFCD00051647 InChI Key: MIIKMZAVLKMOFM-UHFFFAOYSA-N PubChem CID: 229800 IUPAC Name: 3,5-dimethyl-1,2,4-triazol-4-amine SMILES: CC1=NN=C(N1N)C
| PubChem CID | 229800 |
|---|---|
| CAS | 3530-15-2 |
| Molecular Weight (g/mol) | 112.136 |
| MDL Number | MFCD00051647 |
| SMILES | CC1=NN=C(N1N)C |
| IUPAC Name | 3,5-dimethyl-1,2,4-triazol-4-amine |
| InChI Key | MIIKMZAVLKMOFM-UHFFFAOYSA-N |
| Molecular Formula | C4H8N4 |
Methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate, 97%, Thermo Scientific™
CAS: 118465-49-9 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.209 MDL Number: MFCD07772830 InChI Key: YBIAQTPXONLBJG-UHFFFAOYSA-N Synonym: methyl 6h-thieno 2,3-b pyrrole-5-carboxylate,methyl thiopheno 3,2-d pyrrole-5-carboxylate,5-methoxycarbonyl-6h-thieno 2,3-b pyrrole PubChem CID: 7164601 IUPAC Name: methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate SMILES: COC(=O)C1=CC2=C(N1)SC=C2
| PubChem CID | 7164601 |
|---|---|
| CAS | 118465-49-9 |
| Molecular Weight (g/mol) | 181.209 |
| MDL Number | MFCD07772830 |
| SMILES | COC(=O)C1=CC2=C(N1)SC=C2 |
| Synonym | methyl 6h-thieno 2,3-b pyrrole-5-carboxylate,methyl thiopheno 3,2-d pyrrole-5-carboxylate,5-methoxycarbonyl-6h-thieno 2,3-b pyrrole |
| IUPAC Name | methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate |
| InChI Key | YBIAQTPXONLBJG-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2S |