Methyl Isothiocyanate

Molecule SVG Image

Properties Simple | Detailed

Formula C2H3NS
IUPAC Name methylimino(thioxo)methane
Molecular Mass 73.117 g·mol−1
Heat of Formation 130.0 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 90.64 Å 3
Surface Area 106.63 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry Cs
Synonyms
  • (methylimino)(thioxo)methane
  • biomet 33
  • caswell no. 573
  • degussa methyl isothiocyanate
  • epa pesticide chemical code 068103
  • isothiocyanate de methyle [iso-french]
  • isothiocyanatomethane
  • isothiocyanic acid, methyl ester
  • isotiocianato de metilo [spanish]
  • mencs
  • methane, (methylimino)thioxo-
  • methane, isothiocyanato-
  • methyl isothiocyanate [bsi:iso]
  • methyl isothiocyanate [un2477] [poison]
  • methyl mustard
  • methyl mustard oil
  • methylimino-sulfanylidene-methane
  • methylimino-sulfanylidenemethane
  • methylimino-thioxo-methane
  • methylimino-thioxomethane
  • methylisothiocyanaat [netherlands]
  • methylisothiocyanat [denmark]
  • mitc
  • morton ep-161e
  • trapex-40
  • trapexide
  • vorlex (nor-am)
  • vorlex 201 (nor-am)
  • vortex
  • wn 12
CAS Number(s)
  • 556-61-6
InChIKey LGDSHSYDSCRFAB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S N