Organoheterocyclic compounds
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5-Nitro-2-furoic acid, 98+%
CAS: 645-12-5 Molecular Formula: C5H3NO5 Molecular Weight (g/mol): 157.081 MDL Number: MFCD00003240 InChI Key: IODMEDPPCXSFLD-UHFFFAOYSA-N Synonym: 5-nitro-2-furoic acid,nitrofurate,5-nitrofuroic acid,2-furoic acid, 5-nitro,5-nitro-2-furancarboxylic acid,5-nitropyromucate,5-nitrofurancarboxylic acid,2-furancarboxylic acid, 5-nitro,ccris 1197,5-nitropyromucic acid PubChem CID: 12577 IUPAC Name: 5-nitrofuran-2-carboxylic acid SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 12577 |
|---|---|
| CAS | 645-12-5 |
| Molecular Weight (g/mol) | 157.081 |
| MDL Number | MFCD00003240 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 5-nitro-2-furoic acid,nitrofurate,5-nitrofuroic acid,2-furoic acid, 5-nitro,5-nitro-2-furancarboxylic acid,5-nitropyromucate,5-nitrofurancarboxylic acid,2-furancarboxylic acid, 5-nitro,ccris 1197,5-nitropyromucic acid |
| IUPAC Name | 5-nitrofuran-2-carboxylic acid |
| InChI Key | IODMEDPPCXSFLD-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO5 |
2-Chloro-5-nitropyridine, 99%
CAS: 4548-45-2 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD00006240 InChI Key: BAZVFQBTJPBRTJ-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-5-nitro,2-chloro-5-nitro-pyridine,3-nitro-6-chloropyridine,chloro 2--5-nitropyridine,2-chloro-5-nitro pyridine,zlchem 162,pubchem1190,chloro-5-nitropyridine,2chloro-5-nitropyridine,2-chloro-5-nitropyridin PubChem CID: 78308 IUPAC Name: 2-chloro-5-nitropyridine SMILES: [O-][N+](=O)C1=CC=C(Cl)N=C1
| PubChem CID | 78308 |
|---|---|
| CAS | 4548-45-2 |
| Molecular Weight (g/mol) | 158.54 |
| MDL Number | MFCD00006240 |
| SMILES | [O-][N+](=O)C1=CC=C(Cl)N=C1 |
| Synonym | pyridine, 2-chloro-5-nitro,2-chloro-5-nitro-pyridine,3-nitro-6-chloropyridine,chloro 2--5-nitropyridine,2-chloro-5-nitro pyridine,zlchem 162,pubchem1190,chloro-5-nitropyridine,2chloro-5-nitropyridine,2-chloro-5-nitropyridin |
| IUPAC Name | 2-chloro-5-nitropyridine |
| InChI Key | BAZVFQBTJPBRTJ-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN2O2 |
2,2':5',2″-Terthiophene, 99%
CAS: 1081-34-1 Molecular Formula: C12H8S3 Molecular Weight (g/mol): 248.376 MDL Number: MFCD00012167 InChI Key: KXSFECAJUBPPFE-UHFFFAOYSA-N Synonym: 2,2':5',2-terthiophene,alpha-terthienyl,alpha-terthiophene,2,5-di 2-thienyl thiophene,2,2',5',2-terthienyl,2,5-bis 2-thienyl thiophene,unii-0p77rau2rr,2,2'-5',2-terthiophene,0p77rau2rr,2,2':5',2-terthienyl PubChem CID: 65067 ChEBI: CHEBI:10335 IUPAC Name: 2,5-dithiophen-2-ylthiophene SMILES: C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3
| PubChem CID | 65067 |
|---|---|
| CAS | 1081-34-1 |
| Molecular Weight (g/mol) | 248.376 |
| ChEBI | CHEBI:10335 |
| MDL Number | MFCD00012167 |
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3 |
| Synonym | 2,2':5',2-terthiophene,alpha-terthienyl,alpha-terthiophene,2,5-di 2-thienyl thiophene,2,2',5',2-terthienyl,2,5-bis 2-thienyl thiophene,unii-0p77rau2rr,2,2'-5',2-terthiophene,0p77rau2rr,2,2':5',2-terthienyl |
| IUPAC Name | 2,5-dithiophen-2-ylthiophene |
| InChI Key | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| Molecular Formula | C12H8S3 |
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 774-07-2 Molecular Formula: C7H9N3O2S Molecular Weight (g/mol): 199.23 MDL Number: MFCD00023227 InChI Key: DKTWKRWWQKVQQB-UHFFFAOYSA-N Synonym: ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate,ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate,ethyl 4-amino-2-mercapropyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester,ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate,ethyl 4-amino-2-sulfanylidene-3h-pyrimidine-5-carboxylate,ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate PubChem CID: 759149 IUPAC Name: ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(N)NC(=S)N=C1
| PubChem CID | 759149 |
|---|---|
| CAS | 774-07-2 |
| Molecular Weight (g/mol) | 199.23 |
| MDL Number | MFCD00023227 |
| SMILES | CCOC(=O)C1=C(N)NC(=S)N=C1 |
| Synonym | ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate,ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate,ethyl 4-amino-2-mercapropyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester,ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate,ethyl 4-amino-2-sulfanylidene-3h-pyrimidine-5-carboxylate,ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate |
| IUPAC Name | ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate |
| InChI Key | DKTWKRWWQKVQQB-UHFFFAOYSA-N |
| Molecular Formula | C7H9N3O2S |
2-(Allylthio)nicotinic acid, 98%
CAS: 175135-25-8 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00051681 InChI Key: KSBMXXMQUGZNSF-UHFFFAOYSA-N Synonym: 2-allylthio nicotinic acid,2-prop-2-en-1-ylsulfanyl pyridine-3-carboxylic acid,2-prop-2-enylthiopyridine-3-carboxylic acid,acmc-20aooc,maybridge1_001317,3-pyridinecarboxylic acid, 2-2-propenylthio,3-pyridinecarboxylicacid, 2-2-propen-1-ylthio PubChem CID: 1810568 IUPAC Name: 2-(prop-2-en-1-ylsulfanyl)pyridine-3-carboxylic acid SMILES: OC(=O)C1=C(SCC=C)N=CC=C1
| PubChem CID | 1810568 |
|---|---|
| CAS | 175135-25-8 |
| Molecular Weight (g/mol) | 195.24 |
| MDL Number | MFCD00051681 |
| SMILES | OC(=O)C1=C(SCC=C)N=CC=C1 |
| Synonym | 2-allylthio nicotinic acid,2-prop-2-en-1-ylsulfanyl pyridine-3-carboxylic acid,2-prop-2-enylthiopyridine-3-carboxylic acid,acmc-20aooc,maybridge1_001317,3-pyridinecarboxylic acid, 2-2-propenylthio,3-pyridinecarboxylicacid, 2-2-propen-1-ylthio |
| IUPAC Name | 2-(prop-2-en-1-ylsulfanyl)pyridine-3-carboxylic acid |
| InChI Key | KSBMXXMQUGZNSF-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2S |
3-Hydroxypyridine-2-carboxylic acid, 98%
CAS: 874-24-8 Molecular Formula: C6H4NO3 Molecular Weight (g/mol): 138.10 MDL Number: MFCD00006294 InChI Key: BRARRAHGNDUELT-UHFFFAOYSA-M Synonym: 3-hydroxypicolinic acid,3-hydroxy-2-pyridinecarboxylic acid,3-hydroxypicolinicacid,2-pyridinecarboxylic acid, 3-hydroxy,3-hpa,pyridinecarboxylic acid, hydroxy,3-hydroxypicolinate,3-hydroxypyridine-2-carboxylate,hydroxypicolinic acid PubChem CID: 13401 ChEBI: CHEBI:64342 IUPAC Name: 3-hydroxypyridine-2-carboxylic acid SMILES: OC1=CC=CN=C1C([O-])=O
| PubChem CID | 13401 |
|---|---|
| CAS | 874-24-8 |
| Molecular Weight (g/mol) | 138.10 |
| ChEBI | CHEBI:64342 |
| MDL Number | MFCD00006294 |
| SMILES | OC1=CC=CN=C1C([O-])=O |
| Synonym | 3-hydroxypicolinic acid,3-hydroxy-2-pyridinecarboxylic acid,3-hydroxypicolinicacid,2-pyridinecarboxylic acid, 3-hydroxy,3-hpa,pyridinecarboxylic acid, hydroxy,3-hydroxypicolinate,3-hydroxypyridine-2-carboxylate,hydroxypicolinic acid |
| IUPAC Name | 3-hydroxypyridine-2-carboxylic acid |
| InChI Key | BRARRAHGNDUELT-UHFFFAOYSA-M |
| Molecular Formula | C6H4NO3 |
2-Methoxy-3-methylpyrazine, 99%
CAS: 2847-30-5 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00006127 InChI Key: VKJIAEQRKBQLLA-UHFFFAOYSA-N Synonym: pyrazine, 2-methoxy-3-methyl,2-methyl-3-methoxypyrazine,2-methoxy-3-methyl-pyrazine,2-methoxy-3-methyl pyrazine,unii-04o7cn9q85,pyrazine, 2-methoxy-3 or 5-methyl,pyrazine, 2-methyl-3-methoxy,almond pyrazine,2-methoxy-3 or5-methylpyrazine,chocolate pyrazine a PubChem CID: 17898 IUPAC Name: 2-methoxy-3-methylpyrazine SMILES: CC1=NC=CN=C1OC
| PubChem CID | 17898 |
|---|---|
| CAS | 2847-30-5 |
| Molecular Weight (g/mol) | 124.143 |
| MDL Number | MFCD00006127 |
| SMILES | CC1=NC=CN=C1OC |
| Synonym | pyrazine, 2-methoxy-3-methyl,2-methyl-3-methoxypyrazine,2-methoxy-3-methyl-pyrazine,2-methoxy-3-methyl pyrazine,unii-04o7cn9q85,pyrazine, 2-methoxy-3 or 5-methyl,pyrazine, 2-methyl-3-methoxy,almond pyrazine,2-methoxy-3 or5-methylpyrazine,chocolate pyrazine a |
| IUPAC Name | 2-methoxy-3-methylpyrazine |
| InChI Key | VKJIAEQRKBQLLA-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O |
7-Nitro-1H-indazole, 98%
CAS: 2942-42-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00022789 InChI Key: PQCAUHUKTBHUSA-UHFFFAOYSA-N Synonym: 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni PubChem CID: 1893 IUPAC Name: 7-nitro-1H-indazole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
| PubChem CID | 1893 |
|---|---|
| CAS | 2942-42-9 |
| Molecular Weight (g/mol) | 163.136 |
| MDL Number | MFCD00022789 |
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2 |
| Synonym | 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni |
| IUPAC Name | 7-nitro-1H-indazole |
| InChI Key | PQCAUHUKTBHUSA-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |
2,5-Dimethylthiophene, 98+%
CAS: 638-02-8 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00005452 InChI Key: GWQOOADXMVQEFT-UHFFFAOYSA-N Synonym: thiophene, 2,5-dimethyl,2,5-dimethyl-thiophene,unii-v6ddx6wb12,v6ddx6wb12,pubchem5194,2,5 dimethylthiophene,thiophene,5-dimethyl,2,5-dimethyl thiophene,thiophene,2,5-dimethyl,2,5-dimethyl-2h-thiolium PubChem CID: 12514 IUPAC Name: 2,5-dimethylthiophene SMILES: CC1=CC=C(S1)C
| PubChem CID | 12514 |
|---|---|
| CAS | 638-02-8 |
| Molecular Weight (g/mol) | 112.19 |
| MDL Number | MFCD00005452 |
| SMILES | CC1=CC=C(S1)C |
| Synonym | thiophene, 2,5-dimethyl,2,5-dimethyl-thiophene,unii-v6ddx6wb12,v6ddx6wb12,pubchem5194,2,5 dimethylthiophene,thiophene,5-dimethyl,2,5-dimethyl thiophene,thiophene,2,5-dimethyl,2,5-dimethyl-2h-thiolium |
| IUPAC Name | 2,5-dimethylthiophene |
| InChI Key | GWQOOADXMVQEFT-UHFFFAOYSA-N |
| Molecular Formula | C6H8S |
3,5-Dibromopyridine, 98+%
CAS: 625-92-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD00014634 InChI Key: SOSPMXMEOFGPIM-UHFFFAOYSA-N Synonym: pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln PubChem CID: 69369 ChEBI: CHEBI:51593 IUPAC Name: 3,5-dibromopyridine SMILES: BrC1=CC(Br)=CN=C1
| PubChem CID | 69369 |
|---|---|
| CAS | 625-92-3 |
| Molecular Weight (g/mol) | 236.89 |
| ChEBI | CHEBI:51593 |
| MDL Number | MFCD00014634 |
| SMILES | BrC1=CC(Br)=CN=C1 |
| Synonym | pyridine, 3,5-dibromo,3,5-dibromo-pyridine,3,5-dibromo pyridine,3,5-dibrompyridin,zlchem 300,3.5-dibromopyridine,3,5-dibromo-pyridin,pubchem2133,3, 5-dibromopyridine,acmc-1auln |
| IUPAC Name | 3,5-dibromopyridine |
| InChI Key | SOSPMXMEOFGPIM-UHFFFAOYSA-N |
| Molecular Formula | C5H3Br2N |
Pyridine hydrochloride, 98%
CAS: 628-13-7 Molecular Formula: C5H6ClN Molecular Weight (g/mol): 115.56 MDL Number: MFCD00012802 InChI Key: AOJFQRQNPXYVLM-UHFFFAOYSA-N Synonym: pyridine hydrochloride,pyridine, hydrochloride,pyridinehydrochloride,pyridine hcl,pyridine, hydrochloride 1:1,pyridine-hcl,pyridine.hcl,pyridiniumchloride,pyridine hcl salt,pyrdine hydrochloride PubChem CID: 10176127 IUPAC Name: pyridine;hydrochloride SMILES: C1=CC=NC=C1.Cl
| PubChem CID | 10176127 |
|---|---|
| CAS | 628-13-7 |
| Molecular Weight (g/mol) | 115.56 |
| MDL Number | MFCD00012802 |
| SMILES | C1=CC=NC=C1.Cl |
| Synonym | pyridine hydrochloride,pyridine, hydrochloride,pyridinehydrochloride,pyridine hcl,pyridine, hydrochloride 1:1,pyridine-hcl,pyridine.hcl,pyridiniumchloride,pyridine hcl salt,pyrdine hydrochloride |
| IUPAC Name | pyridine;hydrochloride |
| InChI Key | AOJFQRQNPXYVLM-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN |
Methyl 2,5-dichlorothiophene-3-carboxylate, 98%
CAS: 145129-54-0 Molecular Formula: C6H4Cl2O2S Molecular Weight (g/mol): 211.056 MDL Number: MFCD00051763 InChI Key: VCXPHMKCDRPIDG-UHFFFAOYSA-N Synonym: acmc-1c2sm,methyl 2,5-dichloro-3-thiophenecarboxylate,methyl-2,5-dichlorothiophene-3-carboxylate,methyl 2,5-dichloro-3-thiophenecarboxylate #,methyl 2,5-bis chloranyl thiophene-3-carboxylate,2,5-dichloro-3-thiophenecarboxylic acid methyl ester,3-thiophenecarboxylic acid, 2,5-dichloro-, methyl ester,3-thiophenecarboxylicacid, 2,5-dichloro-, methyl ester PubChem CID: 518961 IUPAC Name: methyl 2,5-dichlorothiophene-3-carboxylate SMILES: COC(=O)C1=C(SC(=C1)Cl)Cl
| PubChem CID | 518961 |
|---|---|
| CAS | 145129-54-0 |
| Molecular Weight (g/mol) | 211.056 |
| MDL Number | MFCD00051763 |
| SMILES | COC(=O)C1=C(SC(=C1)Cl)Cl |
| Synonym | acmc-1c2sm,methyl 2,5-dichloro-3-thiophenecarboxylate,methyl-2,5-dichlorothiophene-3-carboxylate,methyl 2,5-dichloro-3-thiophenecarboxylate #,methyl 2,5-bis chloranyl thiophene-3-carboxylate,2,5-dichloro-3-thiophenecarboxylic acid methyl ester,3-thiophenecarboxylic acid, 2,5-dichloro-, methyl ester,3-thiophenecarboxylicacid, 2,5-dichloro-, methyl ester |
| IUPAC Name | methyl 2,5-dichlorothiophene-3-carboxylate |
| InChI Key | VCXPHMKCDRPIDG-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2O2S |
2,4-Dimethylquinoline, 95%
CAS: 1198-37-4 Molecular Formula: C11H11N Molecular Weight (g/mol): 157.216 MDL Number: MFCD00006760 InChI Key: ZTNANFDSJRRZRJ-UHFFFAOYSA-N PubChem CID: 14536 IUPAC Name: 2,4-dimethylquinoline SMILES: CC1=CC(=NC2=CC=CC=C12)C
| PubChem CID | 14536 |
|---|---|
| CAS | 1198-37-4 |
| Molecular Weight (g/mol) | 157.216 |
| MDL Number | MFCD00006760 |
| SMILES | CC1=CC(=NC2=CC=CC=C12)C |
| IUPAC Name | 2,4-dimethylquinoline |
| InChI Key | ZTNANFDSJRRZRJ-UHFFFAOYSA-N |
| Molecular Formula | C11H11N |
Glutaric anhydride, 98%
CAS: 108-55-4 Molecular Formula: C5H6O3 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00006679 InChI Key: VANNPISTIUFMLH-UHFFFAOYSA-N Synonym: glutaric anhydride,dihydro-2h-pyran-2,6 3h-dione,glutaric acid anhydride,pentanedioic anhydride,pyroglutaric acid,2h-pyran-2,6 3h-dione, dihydro,pentanedioic acid anhydride,anhydrid kyseliny glutarove,unii-63ofi15s80,anhydrid kyseliny glutarove czech PubChem CID: 7940 IUPAC Name: oxane-2,6-dione SMILES: C1CC(=O)OC(=O)C1
| PubChem CID | 7940 |
|---|---|
| CAS | 108-55-4 |
| Molecular Weight (g/mol) | 114.1 |
| MDL Number | MFCD00006679 |
| SMILES | C1CC(=O)OC(=O)C1 |
| Synonym | glutaric anhydride,dihydro-2h-pyran-2,6 3h-dione,glutaric acid anhydride,pentanedioic anhydride,pyroglutaric acid,2h-pyran-2,6 3h-dione, dihydro,pentanedioic acid anhydride,anhydrid kyseliny glutarove,unii-63ofi15s80,anhydrid kyseliny glutarove czech |
| IUPAC Name | oxane-2,6-dione |
| InChI Key | VANNPISTIUFMLH-UHFFFAOYSA-N |
| Molecular Formula | C5H6O3 |
2-Aminonicotinic acid, 98+%
CAS: 5345-47-1 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00006318 InChI Key: KPIVDNYJNOPGBE-UHFFFAOYSA-N Synonym: 2-aminonicotinic acid,2-amino-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 2-amino,2-amino-nicotinic acid,2-amino-3-carboxypyridine,nicotinic acid, 2-amino,aminonicotinic acid,h-nh 2 nicot-oh,amino-nicotinic acid,2-aminonicotinicacid PubChem CID: 72930 ChEBI: CHEBI:68572 IUPAC Name: 2-aminopyridine-3-carboxylic acid SMILES: NC1=NC=CC=C1C(O)=O
| PubChem CID | 72930 |
|---|---|
| CAS | 5345-47-1 |
| Molecular Weight (g/mol) | 138.13 |
| ChEBI | CHEBI:68572 |
| MDL Number | MFCD00006318 |
| SMILES | NC1=NC=CC=C1C(O)=O |
| Synonym | 2-aminonicotinic acid,2-amino-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 2-amino,2-amino-nicotinic acid,2-amino-3-carboxypyridine,nicotinic acid, 2-amino,aminonicotinic acid,h-nh 2 nicot-oh,amino-nicotinic acid,2-aminonicotinicacid |
| IUPAC Name | 2-aminopyridine-3-carboxylic acid |
| InChI Key | KPIVDNYJNOPGBE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |