AC1NPCKE
2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide
Also Known As: 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide|2-{[7-Methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(pentan-3-yl)acetamide
CAS: 5620-88-2
| Molecular Formula | C21H29N3O2S2 |
|---|---|
| Molecular Weight | 419.1701 g/mol |
| LogP | 4.1657 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.1701 |
| Monoisotopic Mass | 419.1701 |
| Heavy Atoms | 28 |
| Complexity | 927.8541 |
Chemical Identifiers
| CAS Number | 5620-88-2 |
|---|---|
| SMILES | CCC(CC)NC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1CC=C |
Product Overview
AC1NPCKE (CAS 5620-88-2), with molecular formula C21H29N3O2S2 and molecular weight 419.1701 g/mol. IUPAC: 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide.
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.
View MSDS →
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