E33904
Ethyl isothiocyanate
97%
Synonym(s):
Ethyl mustard oil
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About This Item
Linear Formula:
C2H5NCS
CAS Number:
Molecular Weight:
87.14
NACRES:
NA.22
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
208-831-2
Beilstein/REAXYS Number:
1737705
MDL number:
Assay:
97%
Form:
liquid
Quality Level
assay
97%
form
liquid
refractive index
n20/D 1.512 (lit.)
bp
130-132 °C (lit.)
mp
−6 °C (lit.)
density
0.995 g/mL at 25 °C (lit.)
SMILES string
CCN=C=S
InChI
1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChI key
HBNYJWAFDZLWRS-UHFFFAOYSA-N
signalword
Danger
Storage Class
3 - Flammable liquids
wgk
WGK 3
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Acute 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1B
flash_point_f
88.7 °F - closed cup
flash_point_c
31.5 °C - closed cup
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Hirokuni Tajima et al.
Bioscience, biotechnology, and biochemistry, 67(8), 1844-1846 (2003-09-03)
Hydroxy isothiocyanates, especially 2-(4-hydroxyphenyl)ethyl isothiocyanate (hITC), were examined for antimicrobial synergism with streptomycin (SM) against Escherichia coli. On the course of those experiments, a peculiar suppression of SM by a low concentration of hITC was observed, besides the antibacterial synergism
W H Mennicke et al.
Xenobiotica; the fate of foreign compounds in biological systems, 13(4), 203-207 (1983-04-01)
The metabolism of methyl, ethyl, butyl and allyl isothiocyanate, which occur as glucosinolates in a number of plants, was studied. Oral administration of the substances to the rat was followed by their renal excretion as mercapturic acids, which were isolated
Antonietta Melchini et al.
Journal of medicinal chemistry, 55(22), 9682-9692 (2012-09-25)
Dietary isothiocyanates (ITC) derived from cruciferous vegetables have been shown to have numerous biological effects consistent with chemoprotective activity. In this study we synthesized a novel ITC, 2-(2-pyridyl) ethyl ITC (PY-ITC), and assessed its chemopreventive ability in comparison to sulforaphane