Organoheterocyclic compounds
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(S)-(-)-3-Aminotetrahydrofuran p-toluenesulfonate salt, 97%
CAS: 104530-79-2 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD08234425,MFCD07778394 InChI Key: MIPHRQMEIYLZFZ-UHFFFAOYNA-N Synonym: s-3-aminotetrahydrofuran,s-tetrahydrofuran-3-amine,3s-oxolan-3-amine,3-furanamine,tetrahydro-, 3s,s-tetrahydro-furan-3-ylamine,tetrahydrofuran-3beta-amine,s-3-amino-tetrahydrofuran,5-tetrahydrofuran-3-amine,3s-tetrahydro-3-furanamine,3s-tetrahydrofuran-3-amine PubChem CID: 14243168 IUPAC Name: oxolan-3-amine SMILES: NC1CCOC1
| PubChem CID | 14243168 |
|---|---|
| CAS | 104530-79-2 |
| Molecular Weight (g/mol) | 87.12 |
| MDL Number | MFCD08234425,MFCD07778394 |
| SMILES | NC1CCOC1 |
| Synonym | s-3-aminotetrahydrofuran,s-tetrahydrofuran-3-amine,3s-oxolan-3-amine,3-furanamine,tetrahydro-, 3s,s-tetrahydro-furan-3-ylamine,tetrahydrofuran-3beta-amine,s-3-amino-tetrahydrofuran,5-tetrahydrofuran-3-amine,3s-tetrahydro-3-furanamine,3s-tetrahydrofuran-3-amine |
| IUPAC Name | oxolan-3-amine |
| InChI Key | MIPHRQMEIYLZFZ-UHFFFAOYNA-N |
| Molecular Formula | C4H9NO |
Imidazo[1,2-a]pyridine-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 6200-60-8 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD01720458 InChI Key: DOGXPDFZEQXZDS-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine-3-carboxylic acid,imidazo 1,2-a pyridine-3-carboxylicacid,pubchem19678,wln: t56 an dnj bvq,3-carboxyimidazo 1,2-a pyridine,h-imidazo 1,2-a pyridine-3-carboxylic acid,4-hydroimidazo 1,2-a pyridine-3-carboxylic acid,1h-imidazo 1,2-a pyridine-3-carboxylic acid PubChem CID: 73142 IUPAC Name: imidazo[1,2-a]pyridine-3-carboxylic acid SMILES: OC(=O)C1=CN=C2C=CC=CN12
| PubChem CID | 73142 |
|---|---|
| CAS | 6200-60-8 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD01720458 |
| SMILES | OC(=O)C1=CN=C2C=CC=CN12 |
| Synonym | imidazo 1,2-a pyridine-3-carboxylic acid,imidazo 1,2-a pyridine-3-carboxylicacid,pubchem19678,wln: t56 an dnj bvq,3-carboxyimidazo 1,2-a pyridine,h-imidazo 1,2-a pyridine-3-carboxylic acid,4-hydroimidazo 1,2-a pyridine-3-carboxylic acid,1h-imidazo 1,2-a pyridine-3-carboxylic acid |
| IUPAC Name | imidazo[1,2-a]pyridine-3-carboxylic acid |
| InChI Key | DOGXPDFZEQXZDS-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
4-Chloro-2-fluoropyridine, 95%
CAS: 34941-92-9 Molecular Formula: C5H3ClFN Molecular Weight (g/mol): 131.534 MDL Number: MFCD04112503 InChI Key: GNJKJKBURMCLOR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chloropyridine,4-chloro-2-fluoro-pyridine,pyridine, 4-chloro-2-fluoro,pubchem13535,pyridine,4-chloro-2-fluoro PubChem CID: 2762839 IUPAC Name: 4-chloro-2-fluoropyridine SMILES: C1=CN=C(C=C1Cl)F
| PubChem CID | 2762839 |
|---|---|
| CAS | 34941-92-9 |
| Molecular Weight (g/mol) | 131.534 |
| MDL Number | MFCD04112503 |
| SMILES | C1=CN=C(C=C1Cl)F |
| Synonym | 2-fluoro-4-chloropyridine,4-chloro-2-fluoro-pyridine,pyridine, 4-chloro-2-fluoro,pubchem13535,pyridine,4-chloro-2-fluoro |
| IUPAC Name | 4-chloro-2-fluoropyridine |
| InChI Key | GNJKJKBURMCLOR-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClFN |
Rhodanine-3-acetic acid, 98%
CAS: 5718-83-2 Molecular Formula: C5H5NO3S2 Molecular Weight (g/mol): 191.22 MDL Number: MFCD00005491 InChI Key: JGRMXPSUZIYDRR-UHFFFAOYSA-N Synonym: rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid PubChem CID: 79793 IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid SMILES: OC(=O)CN1C(=O)CSC1=S
| PubChem CID | 79793 |
|---|---|
| CAS | 5718-83-2 |
| Molecular Weight (g/mol) | 191.22 |
| MDL Number | MFCD00005491 |
| SMILES | OC(=O)CN1C(=O)CSC1=S |
| Synonym | rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid |
| IUPAC Name | 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| InChI Key | JGRMXPSUZIYDRR-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3S2 |
4-Phenylimidazole, 98+%
CAS: 670-95-1 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 MDL Number: MFCD00005197 InChI Key: XHLKOHSAWQPOFO-UHFFFAOYSA-N Synonym: 4-phenylimidazole,4-phenyl-1h-imidazole,1h-imidazole, 4-phenyl,4 5-phenylimidazole,imidazole, 4-phenyl,4-phenyl imidazole,chembl14145,pim,4-phenyl-1h-imidazol,5-phenylimidazole PubChem CID: 69590 IUPAC Name: 5-phenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=CN=CN2
| PubChem CID | 69590 |
|---|---|
| CAS | 670-95-1 |
| Molecular Weight (g/mol) | 144.177 |
| MDL Number | MFCD00005197 |
| SMILES | C1=CC=C(C=C1)C2=CN=CN2 |
| Synonym | 4-phenylimidazole,4-phenyl-1h-imidazole,1h-imidazole, 4-phenyl,4 5-phenylimidazole,imidazole, 4-phenyl,4-phenyl imidazole,chembl14145,pim,4-phenyl-1h-imidazol,5-phenylimidazole |
| IUPAC Name | 5-phenyl-1H-imidazole |
| InChI Key | XHLKOHSAWQPOFO-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
2-Ethylthiophene, 99%
CAS: 872-55-9 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00005461 InChI Key: JCCCMAAJYSNBPR-UHFFFAOYSA-N Synonym: thiophene, 2-ethyl,2-ethyl-thiophene,ethylthiophene,thiophene, ethyl,pubchem5536,acmc-209qjc,2-ethylthiophene,2-ethylthiophene, analytical standard,met 2-cl-4-metpyrimidine-6-carboxylate PubChem CID: 13388 IUPAC Name: 2-ethylthiophene SMILES: CCC1=CC=CS1
| PubChem CID | 13388 |
|---|---|
| CAS | 872-55-9 |
| Molecular Weight (g/mol) | 112.19 |
| MDL Number | MFCD00005461 |
| SMILES | CCC1=CC=CS1 |
| Synonym | thiophene, 2-ethyl,2-ethyl-thiophene,ethylthiophene,thiophene, ethyl,pubchem5536,acmc-209qjc,2-ethylthiophene,2-ethylthiophene, analytical standard,met 2-cl-4-metpyrimidine-6-carboxylate |
| IUPAC Name | 2-ethylthiophene |
| InChI Key | JCCCMAAJYSNBPR-UHFFFAOYSA-N |
| Molecular Formula | C6H8S |
4-Hydroxy-3-nitropyridine, 95%
CAS: 5435-54-1 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.098 MDL Number: MFCD00128874 InChI Key: YUWOLBZMQDGRFV-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitropyridine,3-nitropyridin-4-ol,3-nitro-4-pyridinol,3-nitro-4-hydroxypyridine,3-nitropyridin-4 1h-one,3-nitro-4-pyridone,4-pyridinol, 3-nitro,4 1h-pyridinone, 3-nitro,3-nitro-1,4-dihydropyridin-4-one,4-hydroxy-3-nitropytidine PubChem CID: 228506 IUPAC Name: 3-nitro-1H-pyridin-4-one SMILES: C1=CNC=C(C1=O)[N+](=O)[O-]
| PubChem CID | 228506 |
|---|---|
| CAS | 5435-54-1 |
| Molecular Weight (g/mol) | 140.098 |
| MDL Number | MFCD00128874 |
| SMILES | C1=CNC=C(C1=O)[N+](=O)[O-] |
| Synonym | 4-hydroxy-3-nitropyridine,3-nitropyridin-4-ol,3-nitro-4-pyridinol,3-nitro-4-hydroxypyridine,3-nitropyridin-4 1h-one,3-nitro-4-pyridone,4-pyridinol, 3-nitro,4 1h-pyridinone, 3-nitro,3-nitro-1,4-dihydropyridin-4-one,4-hydroxy-3-nitropytidine |
| IUPAC Name | 3-nitro-1H-pyridin-4-one |
| InChI Key | YUWOLBZMQDGRFV-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O3 |
Pyrazine-2,3-dicarboxylic acid, 98%
CAS: 89-01-0 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.108 MDL Number: MFCD00006131 InChI Key: ZUCRGHABDDWQPY-UHFFFAOYSA-N Synonym: 2,3-pyrazinedicarboxylic acid,pyrazine-2,3-dicarboxylate,2,3-dicarboxypyrazine,2,3-pyrazine dicarboxylic acid,unii-qnn35wof29,2,3-pyrazinedicarboxylicacid,qnn35wof29,2,3-pyrazinedcarboxylicacid,pubchem8610,acmc-209qye PubChem CID: 66628 IUPAC Name: pyrazine-2,3-dicarboxylic acid SMILES: C1=CN=C(C(=N1)C(=O)O)C(=O)O
| PubChem CID | 66628 |
|---|---|
| CAS | 89-01-0 |
| Molecular Weight (g/mol) | 168.108 |
| MDL Number | MFCD00006131 |
| SMILES | C1=CN=C(C(=N1)C(=O)O)C(=O)O |
| Synonym | 2,3-pyrazinedicarboxylic acid,pyrazine-2,3-dicarboxylate,2,3-dicarboxypyrazine,2,3-pyrazine dicarboxylic acid,unii-qnn35wof29,2,3-pyrazinedicarboxylicacid,qnn35wof29,2,3-pyrazinedcarboxylicacid,pubchem8610,acmc-209qye |
| IUPAC Name | pyrazine-2,3-dicarboxylic acid |
| InChI Key | ZUCRGHABDDWQPY-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2O4 |
1,2-Dimethylimidazole, 98%
CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C
| PubChem CID | 15617 |
|---|---|
| CAS | 1739-84-0 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005294 |
| SMILES | CN1C=CN=C1C |
| Synonym | 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole |
| IUPAC Name | 1,2-dimethylimidazole |
| InChI Key | GIWQSPITLQVMSG-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
Rhodanine, 98+%
CAS: 141-84-4 Molecular Formula: C3H3NOS2 Molecular Weight (g/mol): 133.183 MDL Number: MFCD00005488 InChI Key: KIWUVOGUEXMXSV-UHFFFAOYSA-N Synonym: rhodanine,2-thioxothiazolidin-4-one,2-thioxo-4-thiazolidinone,rhodaninic acid,4-thiazolidinone, 2-thioxo,2-thioxo-1,3-thiazolidin-4-one,rhodanic acid,rhodanin,rodanin,4-oxo-2-thioxothiazoline PubChem CID: 1201546 ChEBI: CHEBI:8830 IUPAC Name: 2-sulfanylidene-1,3-thiazolidin-4-one SMILES: C1C(=O)NC(=S)S1
| PubChem CID | 1201546 |
|---|---|
| CAS | 141-84-4 |
| Molecular Weight (g/mol) | 133.183 |
| ChEBI | CHEBI:8830 |
| MDL Number | MFCD00005488 |
| SMILES | C1C(=O)NC(=S)S1 |
| Synonym | rhodanine,2-thioxothiazolidin-4-one,2-thioxo-4-thiazolidinone,rhodaninic acid,4-thiazolidinone, 2-thioxo,2-thioxo-1,3-thiazolidin-4-one,rhodanic acid,rhodanin,rodanin,4-oxo-2-thioxothiazoline |
| IUPAC Name | 2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI Key | KIWUVOGUEXMXSV-UHFFFAOYSA-N |
| Molecular Formula | C3H3NOS2 |
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 |
3,4-(Methylenedioxy)benzylideneacetone, 98%
CAS: 3160-37-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00016907 InChI Key: XIYPXOFSURQTTJ-NSCUHMNNSA-N Synonym: piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone PubChem CID: 6040503 IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC2=C(C=C1)OCO2
| PubChem CID | 6040503 |
|---|---|
| CAS | 3160-37-0 |
| Molecular Weight (g/mol) | 190.198 |
| MDL Number | MFCD00016907 |
| SMILES | CC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| Synonym | piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone |
| IUPAC Name | (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one |
| InChI Key | XIYPXOFSURQTTJ-NSCUHMNNSA-N |
| Molecular Formula | C11H10O3 |
Sodium nicotinate, 98%
CAS: 54-86-4 Molecular Formula: C6H4NNaO2 Molecular Weight (g/mol): 145.093 MDL Number: MFCD00064352 InChI Key: KFLRWGSAMLBHBV-UHFFFAOYSA-M Synonym: sodium nicotinate,nicotinic acid sodium salt,sodium pyridine-3-carboxylate,natriumnicotinat german,unii-3zx78b4q2l,natriumnicotinat,3-pyridinecarboxylic acid, sodium salt,nicotinic acid, sodium salt,3-pyridinecarboxylic acid, sodium salt 1:1,nicotinic acid sodium PubChem CID: 23687810 IUPAC Name: sodium;pyridine-3-carboxylate SMILES: C1=CC(=CN=C1)C(=O)[O-].[Na+]
| PubChem CID | 23687810 |
|---|---|
| CAS | 54-86-4 |
| Molecular Weight (g/mol) | 145.093 |
| MDL Number | MFCD00064352 |
| SMILES | C1=CC(=CN=C1)C(=O)[O-].[Na+] |
| Synonym | sodium nicotinate,nicotinic acid sodium salt,sodium pyridine-3-carboxylate,natriumnicotinat german,unii-3zx78b4q2l,natriumnicotinat,3-pyridinecarboxylic acid, sodium salt,nicotinic acid, sodium salt,3-pyridinecarboxylic acid, sodium salt 1:1,nicotinic acid sodium |
| IUPAC Name | sodium;pyridine-3-carboxylate |
| InChI Key | KFLRWGSAMLBHBV-UHFFFAOYSA-M |
| Molecular Formula | C6H4NNaO2 |
3-Pyrid-4-ylbenzoic acid, 97%, Thermo Scientific™
CAS: 4385-78-8 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 InChI Key: IYGIZNZSONLPSI-UHFFFAOYSA-N Synonym: 3-pyridin-4-yl benzoic acid,3-pyridin-4-yl-benzoic acid,3-pyrid-4-ylbenzoic acid,3-4-pyridyl benzoic acid,4-3-carboxyphenyl pyridine,3-4-pyridinyl benzoic acid,3-pyridin-4-yl benzoic acid,benzoic acid,3-4-pyridinyl,5fl PubChem CID: 2795562 IUPAC Name: 3-pyridin-4-ylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=NC=C2
| PubChem CID | 2795562 |
|---|---|
| CAS | 4385-78-8 |
| Molecular Weight (g/mol) | 199.209 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=NC=C2 |
| Synonym | 3-pyridin-4-yl benzoic acid,3-pyridin-4-yl-benzoic acid,3-pyrid-4-ylbenzoic acid,3-4-pyridyl benzoic acid,4-3-carboxyphenyl pyridine,3-4-pyridinyl benzoic acid,3-pyridin-4-yl benzoic acid,benzoic acid,3-4-pyridinyl,5fl |
| IUPAC Name | 3-pyridin-4-ylbenzoic acid |
| InChI Key | IYGIZNZSONLPSI-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO2 |
Maleimide, 98%
CAS: 541-59-3 Molecular Formula: C8H4AgKN2O4 Molecular Weight (g/mol): 339.10 MDL Number: MFCD00005494 InChI Key: KWLWLQRUFFGWNG-UHFFFAOYSA-L Synonym: maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one PubChem CID: 10935 ChEBI: CHEBI:16072 SMILES: [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1
| PubChem CID | 10935 |
|---|---|
| CAS | 541-59-3 |
| Molecular Weight (g/mol) | 339.10 |
| ChEBI | CHEBI:16072 |
| MDL Number | MFCD00005494 |
| SMILES | [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1 |
| Synonym | maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one |
| InChI Key | KWLWLQRUFFGWNG-UHFFFAOYSA-L |
| Molecular Formula | C8H4AgKN2O4 |