AC1LYQAU
4-butyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
Also Known As: Oprea1_543787|3-butyl-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one|AJ-292/15367092|3-butyl-2-mercapto-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
CAS: 351004-97-2
| Molecular Formula | C15H20N2OS2 |
|---|---|
| Molecular Weight | 308.1017 g/mol |
| LogP | 4.18959 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1017 |
| Monoisotopic Mass | 308.1017 |
| Heavy Atoms | 20 |
| Complexity | 738.6371 |
Chemical Identifiers
| CAS Number | 351004-97-2 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCCC3 |
Product Overview
AC1LYQAU (CAS 351004-97-2), with molecular formula C15H20N2OS2 and molecular weight 308.1017 g/mol. IUPAC: 4-butyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one.
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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