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Substance Name: Ethyl isothiocyanate
RN: 542-85-8
UNII: 3284MJ2T8P
InChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H5-N-S

Molecular Weight

  • 87.1455
 
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Names and Synonyms

Name of Substance

  • Ethyl isothiocyanate

Synonyms

  • AI3-18428
  • CCRIS 7323
  • EINECS 208-831-2
  • Ethyl isothiocyanate
  • Ethyl mustard oil
  • Isothiocyanatoethane
  • NSC 84212
  • UNII-3284MJ2T8P

Systematic Names

  • Ethane, isothiocyanato-
  • Ethyl isothiocyanate
  • Isothiocyanic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 542-85-8

FDA UNII

  • 3284MJ2T8P

System Generated Number

  • 0000542858

Structure Descriptors

InChI

1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

InChIKey

HBNYJWAFDZLWRS-UHFFFAOYSA-N

Smiles

N(CC)=C=S

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.90E+00 deg C   EXP
Boiling Point 131.5 deg C   EXP
log P (octanol-water) 1.47 (none)   EXP
Water Solubility 7020 mg/L 25 EST
Vapor Pressure 11.4 mm Hg 25 EXP
Henry's Law Constant 4.13E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.