AC1LY8QB
5-(4-butoxyphenyl)-3-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-(4-butoxyphenyl)-4-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine|2-(4-butoxyphenyl)-4-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
CAS: 799786-72-4
| Molecular Formula | C25H32N2O2S2 |
|---|---|
| Molecular Weight | 456.19052 g/mol |
| LogP | 7.2807 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.19052 |
| Monoisotopic Mass | 456.19052 |
| Heavy Atoms | 31 |
| Complexity | 1028.1732 |
Chemical Identifiers
| CAS Number | 799786-72-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCCCC |
Product Overview
AC1LY8QB (CAS 799786-72-4), with molecular formula C25H32N2O2S2 and molecular weight 456.19052 g/mol. IUPAC: 5-(4-butoxyphenyl)-3-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
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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