CAS Registry Number®
57-06-7
CAS Name
Allyl isothiocyanate
Molecular Formula
C4H5NS
Molecular Mass
99.15
Compound Properties
-
Boiling Point (1)
148-154 °C
-
Melting Point (1)
-80 °C
-
Density (1)
1.013-1.020 g/cm³
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey
InChIKey=ZOJBYZNEUISWFT-UHFFFAOYSA-N
SMILES
C(N=C=S)C=C
Canonical SMILES
S=C=NCC=C
Other Names for this Substance
- 1-Propene, 3-isothiocyanato-
- Isothiocyanic acid, allyl ester
- 3-Isothiocyanato-1-propene
- AITC
- Allyl isothiocyanate
- 2-Propenyl isothiocyanate
- Redskin
- Oleum sinapis
- Allylsevenolum
- Senfoel
- Carbospol
- Allyl thioisocyanate
- Allyspol
- Allyspol 75EC
- NSC 5572
- Wasaouro EXT
- Wasaouro
Deleted or Replaced CAS Registry Numbers
50888-64-7, 50978-48-8, 58391-87-0, 107231-30-1, 1001911-93-8
