C13H12N6O2S
methyl 4-cyano-5-[(4,6-diamino-2-pyridinyl)diazenyl]-3-methylthiophene-2-carboxylate
Also Known As: 2-Thiophenecarboxylic acid, 4-cyano-5-[(4,6-diamino-2-pyridinyl)azo]-3-methyl-, methyl ester|2-((2,4-Diaminopyridin-6-yl)azo)-3-cyano-4-methyl-5-(methoxycarbonyl)thiophene|2-Thiophenecarboxylic acid, 4-cyano-5-((4,6-diamino-2-pyridinyl)azo)-3-methyl-, methyl ester|2-Thiophenecarboxylic acid, 4-cyano-5-(2-(4,6-diamino-2-pyridinyl)diazenyl)-3-methyl-, methyl ester
| Molecular Formula | C13H12N6O2S |
|---|---|
| Molecular Weight | 316.07425 g/mol |
| LogP | 2.6896 |
| Topological Polar Surface Area | 139.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.07425 |
| Monoisotopic Mass | 316.07425 |
| Heavy Atoms | 22 |
| Complexity | 785.34216 |
Chemical Identifiers
| CAS Number | 72121-80-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N=NC2=CC(=CC(=N2)N)N)C(=O)OC |
Product Overview
C13H12N6O2S (CAS 72121-80-3), with molecular formula C13H12N6O2S and molecular weight 316.07425 g/mol. IUPAC: methyl 4-cyano-5-[(4,6-diamino-2-pyridinyl)diazenyl]-3-methylthiophene-2-carboxylate.
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