Benzenecarbodithioic acid, butyl ester
butyl benzenecarbodithioate
Also Known As: Butyl dithiobenzoate|Butyl benzenecarbodithioate|Benzenecarbodithioic acid, butyl ester|Dithiobenzoicacidbutylester|Dithiobenzoic acid butyl ester|Benzoic acid, dithio-, butyl ester
CAS: 27249-89-4
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.0537 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0537 |
| Monoisotopic Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 27249-89-4 |
|---|---|
| SMILES | CCCCSC(=S)C1=CC=CC=C1 |
| InChIKey | VHGUEFYFGNPGPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Lubricants & Additives (2 patents)
Product Overview
Benzenecarbodithioic acid, butyl ester (CAS 27249-89-4), with molecular formula C11H14S2 and molecular weight 210.0537 g/mol. IUPAC: butyl benzenecarbodithioate.
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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