AC1N68Q4
5-butylsulfanyl-12,12-dimethyl-N-(oxolan-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-(butylsulfanyl)-6,6-dimethyl-N-(tetrahydrofuran-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine|2-(butylthio)-6,6-dimethyl-N-((tetrahydrofuran-2-yl)methyl)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CAS: 848745-75-5
| Molecular Formula | C20H29N3O2S2 |
|---|---|
| Molecular Weight | 407.1701 g/mol |
| LogP | 5.0257 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1701 |
| Monoisotopic Mass | 407.1701 |
| Heavy Atoms | 27 |
| Complexity | 800.111 |
Chemical Identifiers
| CAS Number | 848745-75-5 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)NCC4CCCO4 |
Product Overview
AC1N68Q4 (CAS 848745-75-5), with molecular formula C20H29N3O2S2 and molecular weight 407.1701 g/mol. IUPAC: 5-butylsulfanyl-12,12-dimethyl-N-(oxolan-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
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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