Carbonochloridothioic acid, S-(phenylmethyl) ester structure

Carbonochloridothioic acid, S-(phenylmethyl) ester

S-benzyl chloromethanethioate

Also Known As: Benzylthiocarbonylchlorid|S-benzyl chlorothiocarbonate|S-benzyl carbonochloridothioate|S-benzyl chloromethanethioate|S-BENZYL CHLOROTHIOFORMATE|Carbonochloridothioic acid, S-(phenylmethyl) ester|(Benzylthio)formic acid chloride|(BENZYLTHIO)CARBONYL CHLORIDE|Formic acid, chlorothio-, S-benzyl ester|Chlorothioformic acid S-benzyl ester|J1.585.891E|CHLORIDOTHIOCARBONIC ACID S-BENZYL ESTER|(BENZYLSULFANYL)(CHLORO)METHANONE|S-(phenylmethyl) estercarbonochloridothioic acid|609-472-8

CAS: 4401-92-7
Molecular Formula C8H7ClOS
Molecular Weight 185.99062 g/mol
LogP 3.2
Topological Polar Surface Area 42.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 3
Exact Mass 185.99062
Monoisotopic Mass 185.99062
Heavy Atoms 11
Complexity 132.0

Chemical Identifiers

CAS Number 4401-92-7
SMILES C1=CC=C(C=C1)CSC(=O)Cl
InChIKey LWUBFVLHBIOKSA-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (13 patents) Heterocyclic Building Blocks (19 patents) Organic Building Blocks (24 patents) Peptides & Amino Acids (3 patents) Pharmaceutical Intermediates (21 patents) Polymer Intermediates (1 patents)

Product Overview

Carbonochloridothioic acid, S-(phenylmethyl) ester (CAS 4401-92-7), with molecular formula C8H7ClOS and molecular weight 185.99062 g/mol. IUPAC: S-benzyl chloromethanethioate.

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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.
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