Molecular Formula of Tibenzate (CAS NO.13402-51-2): C14H12OS
Molecular Weight: 228.30948 g/mol
Structure of Tibenzate (CAS NO.13402-51-2):
IUPAC Name: S-Benzyl benzenecarbothioate
Canonical SMILES: C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2
InChI: InChI=1S/C14H12OS/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey: IXTYVGVNWHFZBK-UHFFFAOYSA-N
1. | orl-mus LD50:1550 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 89 (1969),1179. | ||
2. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02522 . |
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition Tibenzate (CAS NO.13402-51-2) emits toxic fumes of SOx. See also ESTERS.
Tibenzate , its cas register number is 13402-51-2. It also can be called S-Benzyl benzenecarbothioate ; alpha-Toluenethiol, benzoate (6CI) ; and Benzenecarbothioic acid, S-(phenylmethyl) ester (9CI) .
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