Isothiocyanic acid, 2-bromoallyl ester

2-bromo-3-isothiocyanatoprop-1-ene

CAS: 101670-63-7

Molecular Formula	`C4H4BrNS`
Molecular Weight	176.92477 g/mol
LogP	2.0
Topological Polar Surface Area	12.36 Å²
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	176.92477
Heavy Atoms	7
Complexity	114.9

Chemical Identifiers

CAS Number	101670-63-7
SMILES	`C=C(CN=C=S)Br`

Product Overview

Isothiocyanic acid, 2-bromoallyl ester (CAS 101670-63-7), with molecular formula C4H4BrNS and molecular weight 176.92477 g/mol. IUPAC: 2-bromo-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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