AC1MIT4W
8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione
Also Known As: BAS 00341119|8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione|8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione|8-(benzo[d]thiazol-2-ylthio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione|8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-purine-2,6-dione|8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 313552-38-4
| Molecular Formula | C21H25N5O2S2 |
|---|---|
| Molecular Weight | 443.14496 g/mol |
| LogP | 4.5447 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.14496 |
| Monoisotopic Mass | 443.14496 |
| Heavy Atoms | 30 |
| Complexity | 1251.2627 |
Chemical Identifiers
| CAS Number | 313552-38-4 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C |
Product Overview
AC1MIT4W (CAS 313552-38-4), with molecular formula C21H25N5O2S2 and molecular weight 443.14496 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione.
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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