AC1M0F9B
5-benzylsulfanyl-3-[(4-bromophenyl)methylsulfanyl]-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-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine|2-(benzylthio)-4-((4-bromobenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
CAS: 579446-27-8
| Molecular Formula | C25H23BrN2OS3 |
|---|---|
| Molecular Weight | 542.01556 g/mol |
| LogP | 7.8897 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.01556 |
| Monoisotopic Mass | 542.01556 |
| Heavy Atoms | 32 |
| Complexity | 1239.7745 |
Chemical Identifiers
| CAS Number | 579446-27-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SCC4=CC=CC=C4)SCC5=CC=C(C=C5)Br)C |
Product Overview
AC1M0F9B (CAS 579446-27-8), with molecular formula C25H23BrN2OS3 and molecular weight 542.01556 g/mol. IUPAC: 5-benzylsulfanyl-3-[(4-bromophenyl)methylsulfanyl]-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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