public_id

FDB004298

IUPAC 名称

(2E)-but-2-enecarbonyl isothiocyanate

描述

Crotonyl isothiocyanate is a member of the class of compounds known as isothiocyanate acids. Isothiocyanate acids are acidic derivatives of isothiocyanates with the general formula RC(=O)N=C=S. Crotonyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Crotonyl isothiocyanate can be found in chinese mustard, which makes crotonyl isothiocyanate a potential biomarker for the consumption of this food product.

CAS号

异构

C\C=C\C(=O)N=C=S

InChI标识符

InChI=1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+

键

GGYYXENTGJDZTN-NSCUHMNNSA-N

平均分子量

127.009184477

id

4299

含有化合物的食物

食物id	食物名称
27	Chinese mustard