Isothiocyanic acid, 1-chloroallyl ester

3-chloro-3-isothiocyanatoprop-1-ene

CAS: 101670-64-8

Molecular Formula	`C4H4ClNS`
Molecular Weight	132.9753 g/mol
LogP	1.84
Topological Polar Surface Area	12.36 Å²
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	132.9753
Heavy Atoms	7
Complexity	106.3

Chemical Identifiers

CAS Number	101670-64-8
SMILES	`C=CC(N=C=S)Cl`

Product Overview

Isothiocyanic acid, 1-chloroallyl ester (CAS 101670-64-8), with molecular formula C4H4ClNS and molecular weight 132.9753 g/mol. IUPAC: 3-chloro-3-isothiocyanatoprop-1-ene.

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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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