AC1L7YWE
2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Also Known As: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid|[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid|Aceticacid, 2-[(2,3,6,9-tetrahydro-1,3,9-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]-
CAS: 7465-04-5
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.05792 g/mol |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.05792 |
| Monoisotopic Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 7465-04-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)O |
| InChIKey | ZZFILLWIULOMBV-UHFFFAOYSA-N |
Product Overview
AC1L7YWE (CAS 7465-04-5), with molecular formula C10H12N4O4S and molecular weight 284.05792 g/mol. IUPAC: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetic 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.
View MSDS →
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