public_id

FDB004143

IUPAC 名称

(2R)-2-isothiocyanatobutane

描述

D-2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. D-2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-2-butylisothiocyanate can be found in horseradish, which makes D-2-butylisothiocyanate a potential biomarker for the consumption of this food product.

CAS号

异构

[H][C@@](C)(CC)N=C=S

InChI标识符

InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3/t5-/m1/s1

键

TUFJIDJGIQOYFY-RXMQYKEDSA-N

平均分子量

115.045570468

id

4144

含有化合物的食物

食物id	食物名称
18	Horseradish