AC1N8JZ1
[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate|[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CAS: 744236-33-7
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.0868 g/mol |
| LogP | 3.65698 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0868 |
| Monoisotopic Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 917.40906 |
Chemical Identifiers
| CAS Number | 744236-33-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(N=CC=C3)SC |
Product Overview
AC1N8JZ1 (CAS 744236-33-7), with molecular formula C19H19N3O3S2 and molecular weight 401.0868 g/mol. IUPAC: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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