AC1MKF2V
methyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010681|Oprea1_604200|HMS617F11|BAS 07415417|AG-205/11318505|SR-01000365682-1|A0565/0026102|methyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate|6-Amino-5-cyano-2-methyl-4-(4-methylsulfanyl-phenyl)-4H-pyran-3-carboxylic acid|methyl 6-amino-5-cyano-2-methyl-4-(4-(methylthio)phenyl)-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-methyl-4-(4-methylthiophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.08817 g/mol |
| LogP | 2.66318 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08817 |
| Monoisotopic Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 699.09625 |
Chemical Identifiers
| CAS Number | 339583-67-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OC |
Product Overview
AC1MKF2V (CAS 339583-67-4), with molecular formula C16H16N2O3S and molecular weight 316.08817 g/mol. IUPAC: methyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate.
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