S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate

CAS: 22039-90-3

Molecular Formula	`C9H9Cl2NOS`
Molecular Weight	250.14 g/mol
LogP	3.3
Topological Polar Surface Area	54.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	248.9782
Heavy Atoms	14
Complexity	184.0

Chemical Identifiers

CAS Number	22039-90-3
SMILES	`C1=CC(=CC=C1SC(=O)NCCCl)Cl`
InChIKey	`KHKHBGRLFYDZKL-UHFFFAOYSA-N`

📖 Product Overview

S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate (CAS: 22039-90-3) is a chemical compound with molecular formula C9H9Cl2NOS and molecular weight 250.14 g/mol. Its IUPAC systematic name is S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate. LogP 3.3 Topological Polar Surface Area 54.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 248.9782 Heavy Atoms 14 Complexity 184.0 InChI Key: KHKHBGRLFYDZKL-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1SC(=O)NCCCl)Cl.

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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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