CAS Registry Number®
592-82-5
CAS Name
Butyl isothiocyanate
Molecular Formula
C5H9NS
Molecular Mass
115.20
Compound Properties
-
Boiling Point (1)
168 °C
-
Melting Point (2)
115 °C
-
Density (3)
0.9546 g/cm³ @ Temp: 20 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Datar, Prasanna A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, (2003), 42B(3), 690-694, CAplus
- (3) Schmidt, Erich; Justus Liebigs Annalen der Chemie, (1954), 585, 230-4, CAplus
Other Names and Identifiers
InChI
InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey
InChIKey=LIMQQADUEULBSO-UHFFFAOYSA-N
SMILES
C(CCC)N=C=S
Canonical SMILES
S=C=NCCCC
Other Names for this Substance
- Butane, 1-isothiocyanato-
- Isothiocyanic acid, butyl ester
- 1-Isothiocyanatobutane
- Butyl isothiocyanate
- Butyl mustard oil
- n-Butyl isothiocyanate
- NSC 194808
