2-Chloroethyl isothiocyanate

C3H4ClNSCAS 6099-88-3121.58 g/mol

ClNS
Alkyl halideIsothiocyanate

Properties

Molecular formula
C3H4ClNS
Molar mass
121.58 g/mol
Exact mass
120.9753 Da
logP
1.33Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
6099-88-3
SMILES
C(CCl)N=C=S
InChIKey
ZUWFBQUHBOUPFK-UHFFFAOYSA-N
InChI
InChI=1S/C3H4ClNS/c4-1-2-5-3-6/h1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloroethyl isothiocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere