4-(9H-Purin-6-ylthio)butanoic acid
4-(7H-purin-6-ylsulfanyl)butanoic acid
Also Known As: 4-(9H-Purin-6-ylthio)butanoic acid|4-(7H-purin-6-ylsulfanyl)butanoic Acid|4-[(7H-Purin-6-yl)sulfanyl]butanoic acid
CAS: 608-11-7
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05244 g/mol |
| LogP | 1.3098 |
| Topological Polar Surface Area | 91.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.05244 |
| Monoisotopic Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 498.96957 |
Chemical Identifiers
| CAS Number | 608-11-7 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCCCC(=O)O |
Product Overview
4-(9H-Purin-6-ylthio)butanoic acid (CAS 608-11-7), with molecular formula C9H10N4O2S and molecular weight 238.05244 g/mol. IUPAC: 4-(7H-purin-6-ylsulfanyl)butanoic acid.
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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