4-(Isothiocyanatomethyl)benzoic acid
4-(isothiocyanatomethyl)benzoic acid
Also Known As: 4-(isothiocyanatomethyl)benzoic acid|4-Isothiocyanatomethyl-benzoic acid|4-(isothiocyanatomethyl)benzoicacid
CAS: 35009-14-4
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.01974 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.01974 |
| Monoisotopic Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 35009-14-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C=S)C(=O)O |
| InChIKey | YJHAFHMZBVQRFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (8 patents)
Organic Building Blocks (12 patents)
Peptides & Amino Acids (6 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
4-(Isothiocyanatomethyl)benzoic acid (CAS 35009-14-4), with molecular formula C9H7NO2S and molecular weight 193.01974 g/mol. IUPAC: 4-(isothiocyanatomethyl)benzoic 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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