N-Benzoyl-S-methylisothiourea
methyl N'-benzoylcarbamimidothioate
Also Known As: N-benzoyl-S-methyl-isothiourea|N-Benzoyl-S-methylisothiourea|Methyl benzoylcarbamimidothioate|methyl N'-benzoylcarbamimidothioate|N-Benzoylcarbamimidothioic acid, methyl ester
CAS: 25508-17-2
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05139 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05139 |
| Monoisotopic Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 25508-17-2 |
|---|---|
| SMILES | CSC(=NC(=O)C1=CC=CC=C1)N |
| InChIKey | WIKMCIXLAMJFBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (3 patents)
Organic Building Blocks (1 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
N-Benzoyl-S-methylisothiourea (CAS 25508-17-2), with molecular formula C9H10N2OS and molecular weight 194.05139 g/mol. IUPAC: methyl N'-benzoylcarbamimidothioate.
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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