Organoheterocyclic compounds
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Isonicotinamide 99.0+%, TCI America™
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CAS: 1453-82-3 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006432 InChI Key: VFQXVTODMYMSMJ-UHFFFAOYSA-N Synonym: isonicotinamide,4-pyridinecarboxamide,4-carbamoylpyridine,isonicotinic acid amide,isonicotineamide,gamma-pyridinecarboxamide,pyridine-4-carboxylic acid amide,unii-4h3bh6yx9q,.gamma.-pyridinecarboxamide,4h3bh6yx9q PubChem CID: 15074 ChEBI: CHEBI:6031 IUPAC Name: pyridine-4-carboxamide SMILES: C1=CN=CC=C1C(=O)N
| PubChem CID | 15074 |
|---|---|
| CAS | 1453-82-3 |
| Molecular Weight (g/mol) | 122.127 |
| ChEBI | CHEBI:6031 |
| MDL Number | MFCD00006432 |
| SMILES | C1=CN=CC=C1C(=O)N |
| Synonym | isonicotinamide,4-pyridinecarboxamide,4-carbamoylpyridine,isonicotinic acid amide,isonicotineamide,gamma-pyridinecarboxamide,pyridine-4-carboxylic acid amide,unii-4h3bh6yx9q,.gamma.-pyridinecarboxamide,4h3bh6yx9q |
| IUPAC Name | pyridine-4-carboxamide |
| InChI Key | VFQXVTODMYMSMJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
3,3-Dimethylglutaric Anhydride 97.0+%, TCI America™
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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 |
3-Amino-1,2,4-triazole 98.0+%, TCI America™
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CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1
| PubChem CID | 1639 |
|---|---|
| CAS | 61-82-5 |
| Molecular Weight (g/mol) | 84.08 |
| ChEBI | CHEBI:40036 |
| MDL Number | MFCD00005230,MFCD00053362 |
| SMILES | NC1=NC=NN1 |
| Synonym | 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox |
| IUPAC Name | 1H-1,2,4-triazol-5-amine |
| InChI Key | KLSJWNVTNUYHDU-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4 |
3-Hydroxy-2-nitropyridine 98.0+%, TCI America™
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CAS: 15128-82-2 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.10 MDL Number: MFCD00006258 InChI Key: QBPDSKPWYWIHGA-UHFFFAOYSA-N Synonym: 3-hydroxy-2-nitropyridine,2-nitropyridin-3-ol,2-nitro-3-hydroxypyridine,2-nitro-3-pyridinol,3-pyridinol, 2-nitro,2-nitro-3-hydroxy pyridine,unii-uu357x85yb,3-hydroxy-2-nitro pyridine,2-nitro-3-pyridol PubChem CID: 27057 IUPAC Name: 2-nitropyridin-3-ol SMILES: OC1=CC=CN=C1[N+]([O-])=O
| PubChem CID | 27057 |
|---|---|
| CAS | 15128-82-2 |
| Molecular Weight (g/mol) | 140.10 |
| MDL Number | MFCD00006258 |
| SMILES | OC1=CC=CN=C1[N+]([O-])=O |
| Synonym | 3-hydroxy-2-nitropyridine,2-nitropyridin-3-ol,2-nitro-3-hydroxypyridine,2-nitro-3-pyridinol,3-pyridinol, 2-nitro,2-nitro-3-hydroxy pyridine,unii-uu357x85yb,3-hydroxy-2-nitro pyridine,2-nitro-3-pyridol |
| IUPAC Name | 2-nitropyridin-3-ol |
| InChI Key | QBPDSKPWYWIHGA-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O3 |
2-Amino-3-cyanothiophene 98.0+%, TCI America™
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CAS: 4651-82-5 Molecular Formula: C5H4N2S Molecular Weight (g/mol): 124.16 MDL Number: MFCD00706298 InChI Key: XVGHZFWFGXDIOU-UHFFFAOYSA-N Synonym: 2-amino-3-cyanothiophene,2-amino-3-thiophenecarbonitrile,2-amino-thiophene-3-carbonitrile,3-thiophenecarbonitrile,2-amino,3-thiophenecarbonitrile, 2-amino,2-aminothiophen-3-carbonitril,pubchem5222,aminothiophenecarbonitrile,2-amino-3-thienyl cyanide,2-azanylthiophene-3-carbonitrile PubChem CID: 736607 IUPAC Name: 2-aminothiophene-3-carbonitrile SMILES: NC1=C(C=CS1)C#N
| PubChem CID | 736607 |
|---|---|
| CAS | 4651-82-5 |
| Molecular Weight (g/mol) | 124.16 |
| MDL Number | MFCD00706298 |
| SMILES | NC1=C(C=CS1)C#N |
| Synonym | 2-amino-3-cyanothiophene,2-amino-3-thiophenecarbonitrile,2-amino-thiophene-3-carbonitrile,3-thiophenecarbonitrile,2-amino,3-thiophenecarbonitrile, 2-amino,2-aminothiophen-3-carbonitril,pubchem5222,aminothiophenecarbonitrile,2-amino-3-thienyl cyanide,2-azanylthiophene-3-carbonitrile |
| IUPAC Name | 2-aminothiophene-3-carbonitrile |
| InChI Key | XVGHZFWFGXDIOU-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2S |
5,6-Diamino-1-methyluracil 98.0+%, TCI America™
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CAS: 6972-82-3 Molecular Formula: C5H8N4O2 Molecular Weight (g/mol): 156.145 MDL Number: MFCD00091924 InChI Key: PSIJQVXIJHUQPJ-UHFFFAOYSA-N PubChem CID: 157184 IUPAC Name: 5,6-diamino-1-methylpyrimidine-2,4-dione SMILES: CN1C(=C(C(=O)NC1=O)N)N
| PubChem CID | 157184 |
|---|---|
| CAS | 6972-82-3 |
| Molecular Weight (g/mol) | 156.145 |
| MDL Number | MFCD00091924 |
| SMILES | CN1C(=C(C(=O)NC1=O)N)N |
| IUPAC Name | 5,6-diamino-1-methylpyrimidine-2,4-dione |
| InChI Key | PSIJQVXIJHUQPJ-UHFFFAOYSA-N |
| Molecular Formula | C5H8N4O2 |
2-Bromo-3-(trifluoromethyl)pyridine 98.0+%, TCI America™
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CAS: 175205-82-0 Molecular Formula: C6H3BrF3N Molecular Weight (g/mol): 225.996 MDL Number: MFCD00153084 InChI Key: OFGSIPQYQUVVPL-UHFFFAOYSA-N Synonym: 2-bromo-3-trifluoromethyl pyridine,2-bromo-3-trifluorormethyl pyridine,pyridine, 2-bromo-3-trifluoromethyl,2-bromo-3-trifluormethyl-pyridine,pubchem2999,acmc-1bx8n,ksc174i2d,tpc-py049,buttpark 27\06-85 PubChem CID: 5193820 IUPAC Name: 2-bromo-3-(trifluoromethyl)pyridine SMILES: C1=CC(=C(N=C1)Br)C(F)(F)F
| PubChem CID | 5193820 |
|---|---|
| CAS | 175205-82-0 |
| Molecular Weight (g/mol) | 225.996 |
| MDL Number | MFCD00153084 |
| SMILES | C1=CC(=C(N=C1)Br)C(F)(F)F |
| Synonym | 2-bromo-3-trifluoromethyl pyridine,2-bromo-3-trifluorormethyl pyridine,pyridine, 2-bromo-3-trifluoromethyl,2-bromo-3-trifluormethyl-pyridine,pubchem2999,acmc-1bx8n,ksc174i2d,tpc-py049,buttpark 27\06-85 |
| IUPAC Name | 2-bromo-3-(trifluoromethyl)pyridine |
| InChI Key | OFGSIPQYQUVVPL-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF3N |
2,3,3,5-Tetramethylindolenine 98.0+%, TCI America™
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CAS: 25981-82-2 Molecular Formula: C12H15N Molecular Weight (g/mol): 173.26 MDL Number: MFCD03093020 InChI Key: RQVAPBRSUHSDGP-UHFFFAOYSA-N PubChem CID: 117693 IUPAC Name: 2,3,3,5-tetramethyl-3H-indole SMILES: CC1=NC2=CC=C(C)C=C2C1(C)C
| PubChem CID | 117693 |
|---|---|
| CAS | 25981-82-2 |
| Molecular Weight (g/mol) | 173.26 |
| MDL Number | MFCD03093020 |
| SMILES | CC1=NC2=CC=C(C)C=C2C1(C)C |
| IUPAC Name | 2,3,3,5-tetramethyl-3H-indole |
| InChI Key | RQVAPBRSUHSDGP-UHFFFAOYSA-N |
| Molecular Formula | C12H15N |
1,3,4-Thiadiazole-2-thiol 98.0+%, TCI America™
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CAS: 18686-82-3 Molecular Formula: C2H2N2S2 Molecular Weight (g/mol): 118.172 MDL Number: MFCD00040404 InChI Key: JLAMDELLBBZOOX-UHFFFAOYSA-N Synonym: 2-mercapto-1,3,4-thiadiazole,1,3,4-thiadiazole-2-thiol,2-mercapto-1,3,4-thiadiazol,1,3,4-thiadiazole-2 3h-thione,1,3,4-thiadiazol-2-yl hydrosulfide,5-mercapto-1,3,4-thiadiazole,mtd:2-mereapto-1,3,4-thiadiazole,acmc-20ansd,pubchem10119,ksc177e6p PubChem CID: 3034302 IUPAC Name: 3H-1,3,4-thiadiazole-2-thione SMILES: C1=NNC(=S)S1
| PubChem CID | 3034302 |
|---|---|
| CAS | 18686-82-3 |
| Molecular Weight (g/mol) | 118.172 |
| MDL Number | MFCD00040404 |
| SMILES | C1=NNC(=S)S1 |
| Synonym | 2-mercapto-1,3,4-thiadiazole,1,3,4-thiadiazole-2-thiol,2-mercapto-1,3,4-thiadiazol,1,3,4-thiadiazole-2 3h-thione,1,3,4-thiadiazol-2-yl hydrosulfide,5-mercapto-1,3,4-thiadiazole,mtd:2-mereapto-1,3,4-thiadiazole,acmc-20ansd,pubchem10119,ksc177e6p |
| IUPAC Name | 3H-1,3,4-thiadiazole-2-thione |
| InChI Key | JLAMDELLBBZOOX-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S2 |
Ethyl 3-Indoleacetate 98.0+%, TCI America™
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CAS: 778-82-5 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00005635 InChI Key: HUDBDWIQSIGUDI-UHFFFAOYSA-N Synonym: ethyl 3-indoleacetate,ethyl 2-1h-indol-3-yl acetate,indole-3-acetic acid ethyl ester,ethyl indole-3-acetate,ethyl indol-3-ylacetate,1h-indole-3-acetic acid, ethyl ester,ethyl 1h-indol-3-ylacetate,indole-3-acetic acid, ethyl ester,ethyl beta-indolylacetate,ethyl3-indoleacetate PubChem CID: 13067 IUPAC Name: ethyl 2-(1H-indol-3-yl)acetate SMILES: CCOC(=O)CC1=CNC2=CC=CC=C21
| PubChem CID | 13067 |
|---|---|
| CAS | 778-82-5 |
| Molecular Weight (g/mol) | 203.241 |
| MDL Number | MFCD00005635 |
| SMILES | CCOC(=O)CC1=CNC2=CC=CC=C21 |
| Synonym | ethyl 3-indoleacetate,ethyl 2-1h-indol-3-yl acetate,indole-3-acetic acid ethyl ester,ethyl indole-3-acetate,ethyl indol-3-ylacetate,1h-indole-3-acetic acid, ethyl ester,ethyl 1h-indol-3-ylacetate,indole-3-acetic acid, ethyl ester,ethyl beta-indolylacetate,ethyl3-indoleacetate |
| IUPAC Name | ethyl 2-(1H-indol-3-yl)acetate |
| InChI Key | HUDBDWIQSIGUDI-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
1,3,5-Tris[4-(9-carbazolyl)phenyl]benzene 98.0+%, TCI America™
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1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
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CAS: 174899-82-2 Molecular Formula: C8H11F6N3O4S2 Molecular Weight (g/mol): 391.303 MDL Number: MFCD03788927 InChI Key: LRESCJAINPKJTO-UHFFFAOYSA-N PubChem CID: 11731903 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 11731903 |
|---|---|
| CAS | 174899-82-2 |
| Molecular Weight (g/mol) | 391.303 |
| MDL Number | MFCD03788927 |
| SMILES | CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium |
| InChI Key | LRESCJAINPKJTO-UHFFFAOYSA-N |
| Molecular Formula | C8H11F6N3O4S2 |
2,5-Bis(trimethylstannyl)thieno[3,2-b]thiophene 98.0+%, TCI America™
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CAS: 469912-82-1 Molecular Formula: C12H20S2Sn2 Molecular Weight (g/mol): 465.83 MDL Number: MFCD22200503 InChI Key: HDZULVYGCRXVNQ-UHFFFAOYSA-N PubChem CID: 12978043 IUPAC Name: trimethyl[5-(trimethylstannyl)thieno[3,2-b]thiophen-2-yl]stannane SMILES: C[Sn](C)(C)C1=CC2=C(S1)C=C(S2)[Sn](C)(C)C
| PubChem CID | 12978043 |
|---|---|
| CAS | 469912-82-1 |
| Molecular Weight (g/mol) | 465.83 |
| MDL Number | MFCD22200503 |
| SMILES | C[Sn](C)(C)C1=CC2=C(S1)C=C(S2)[Sn](C)(C)C |
| IUPAC Name | trimethyl[5-(trimethylstannyl)thieno[3,2-b]thiophen-2-yl]stannane |
| InChI Key | HDZULVYGCRXVNQ-UHFFFAOYSA-N |
| Molecular Formula | C12H20S2Sn2 |
2,3,7,8,12,13,17,18-Octaethylporphyrin 95.0+%, TCI America™
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CAS: 2683-82-1 Molecular Formula: C36H46N4 Molecular Weight (g/mol): 534.792 MDL Number: MFCD00009627 InChI Key: XFIIGRBIXXECHR-UHFFFAOYSA-N Synonym: octaethylporphine,octaethylporphyrin,2,3,7,8,12,13,17,18-octaethyl-21h,23h-porphine,2,3,7,8,12,13,17,18-octaethylporphyrin,octaethylpophine,21h,23h-porphine, 2,3,7,8,12,13,17,18-octaethyl,octaethylporphyrine,2,3,7,8,12,13,17,18-octaethyl-21h,23h-porphin,acmc-209gte,hciifbhdbocsaf-muzkialcsa-n PubChem CID: 102311 IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin SMILES: CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
| PubChem CID | 102311 |
|---|---|
| CAS | 2683-82-1 |
| Molecular Weight (g/mol) | 534.792 |
| MDL Number | MFCD00009627 |
| SMILES | CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC |
| Synonym | octaethylporphine,octaethylporphyrin,2,3,7,8,12,13,17,18-octaethyl-21h,23h-porphine,2,3,7,8,12,13,17,18-octaethylporphyrin,octaethylpophine,21h,23h-porphine, 2,3,7,8,12,13,17,18-octaethyl,octaethylporphyrine,2,3,7,8,12,13,17,18-octaethyl-21h,23h-porphin,acmc-209gte,hciifbhdbocsaf-muzkialcsa-n |
| IUPAC Name | 2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin |
| InChI Key | XFIIGRBIXXECHR-UHFFFAOYSA-N |
| Molecular Formula | C36H46N4 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 98.0+%, TCI America™
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CAS: 171364-82-2 Molecular Formula: C13H16BNO2 Molecular Weight (g/mol): 229.09 MDL Number: MFCD03093897 InChI Key: HOPDTPGXBZCBNP-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,4-cyanophenylboronic acid pinacol ester,4-cyanobenzeneboronic acid pinacol ester,4-cyanophenylboronic acid, pinacol ester,benzonitrile, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-cyanobenzeneboronic acid, pinacol ester,2-4-cyanophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzonitrile,4-cyanophenylboronicacidpinacolester PubChem CID: 2734625 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C#N
| PubChem CID | 2734625 |
|---|---|
| CAS | 171364-82-2 |
| Molecular Weight (g/mol) | 229.09 |
| MDL Number | MFCD03093897 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C#N |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,4-cyanophenylboronic acid pinacol ester,4-cyanobenzeneboronic acid pinacol ester,4-cyanophenylboronic acid, pinacol ester,benzonitrile, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-cyanobenzeneboronic acid, pinacol ester,2-4-cyanophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzonitrile,4-cyanophenylboronicacidpinacolester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI Key | HOPDTPGXBZCBNP-UHFFFAOYSA-N |
| Molecular Formula | C13H16BNO2 |