Ethyl isothiocyanate

C3H5NSCAS 542-85-887.14 g/mol

NS
Isothiocyanate

Properties

Molecular formula
C3H5NS
Molar mass
87.14 g/mol
Exact mass
87.0143 Da
Density
0.997–1.004 g/mL
Melting point
−5.9 °C
Boiling point
131.5 °C
logP
1.11Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
542-85-8
SMILES
CCN=C=S
InChIKey
HBNYJWAFDZLWRS-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethane, isothiocyanato-
  • Isothiocyanic acid, ethyl ester
  • Isothiocyanatoethane
  • Ethyl mustard oil
  • NSC 84212
  • Ethyl thioisocyanate
  • 1-Isothiocyanatoethane

Work with Ethyl isothiocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere