AC1NKZI4
2-[(12-ethyl-12-methyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
Also Known As: 2-((6-ethyl-6-methyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
CAS: 383159-45-3
| Molecular Formula | C20H20N2O3S3 |
|---|---|
| Molecular Weight | 432.0636 g/mol |
| LogP | 4.5819 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.0636 |
| Monoisotopic Mass | 432.0636 |
| Heavy Atoms | 28 |
| Complexity | 1107.3217 |
Chemical Identifiers
| CAS Number | 383159-45-3 |
|---|---|
| SMILES | CCC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4)C |
Product Overview
AC1NKZI4 (CAS 383159-45-3), with molecular formula C20H20N2O3S3 and molecular weight 432.0636 g/mol. IUPAC: 2-[(12-ethyl-12-methyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid.
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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