Chemical Formula: C5H9NS

Chemical Formula C5H9NS

Found 25 metabolite its formula value is C5H9NS

Isobutyl isothiocyanate

Propane, 1-isothiocyanato-2-methyl- (9ci)

C5H9NS (115.0455674)


Isobutyl isothiocyanate is found in soft-necked garlic. Isobutyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive . Isobutyl isothiocyanate is found in soft-necked garlic.

   

1-Isothiocyanatobutane

Isothiocyanic acid N-butyl ester

C5H9NS (115.0455674)


1-Isothiocyanatobutane is found in brassicas. 1-Isothiocyanatobutane is a volatile constituent of cabbage and other crucifers arising from enzymic hydrolysis of Butyl glucosinolate LBB59-YLBB59-Y. 1-Isothiocyanatobutane is found in horseradish and brassicas.

   

xi-2,5-Dihydro-2,4-dimethylthiazole

2,4-dimethyl-2,5-dihydro-1,3-thiazole

C5H9NS (115.0455674)


xi-2,5-Dihydro-2,4-dimethylthiazole is found in animal foods. xi-2,5-Dihydro-2,4-dimethylthiazole is a volatile component of roasted peanuts and fried chicken. Volatile component of roasted peanuts and fried chicken. xi-2,5-Dihydro-2,4-dimethylthiazole is found in animal foods and nuts.

   

D-2-Butylisothiocyanate

D-2-Butylisothiocyanic acid

C5H9NS (115.0455674)


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.

   

4-(Methylthio)-butanonitrile

4-(methylsulfanyl)butanenitrile

C5H9NS (115.0455674)


4-(methylthio)-butanonitrile is a member of the class of compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 4-(methylthio)-butanonitrile can be found in kohlrabi, which makes 4-(methylthio)-butanonitrile a potential biomarker for the consumption of this food product.

   

2-Butylisothiocyanate

butane, 2-isothiocyanato-

C5H9NS (115.0455674)


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. 2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-butylisothiocyanate is a green tasting compound and can be found in a number of food items such as white cabbage, broccoli, brussel sprouts, and cabbage, which makes 2-butylisothiocyanate a potential biomarker for the consumption of these food products.

   

4-(methylthio)butanenitrile|4-(methylthio)butanonitrile|4-(methylthio)butylnitrile|4-(methylthio)butyronitrile|4-methylsulfanyl-butyronitrile|4-methylthiobutanenitrile|4-methylthiobutyronitrile

4-(methylthio)butanenitrile|4-(methylthio)butanonitrile|4-(methylthio)butylnitrile|4-(methylthio)butyronitrile|4-methylsulfanyl-butyronitrile|4-methylthiobutanenitrile|4-methylthiobutyronitrile

C5H9NS (115.0455674)


   

2-Methylpropylthiocyanat|iso-butyl-thiocyanate|isobutyl thiocyanate|Isobutylrhodanid|Isobutylthiocyanat|thiocyanic acid, 2-methylpropyl ester|Thiocyansaeure-isobutylester

2-Methylpropylthiocyanat|iso-butyl-thiocyanate|isobutyl thiocyanate|Isobutylrhodanid|Isobutylthiocyanat|thiocyanic acid, 2-methylpropyl ester|Thiocyansaeure-isobutylester

C5H9NS (115.0455674)


   

sec-Butyl isothiocyanate

sec-Butyl isothiocyanate

C5H9NS (115.0455674)


   

Butyl mustard oil

Isothiocyanic acid N-butyl ester

C5H9NS (115.0455674)


   

Isobutyl isothiocyanate

Propane, 1-isothiocyanato-2-methyl- (9ci)

C5H9NS (115.0455674)


   

xi-2,5-Dihydro-2,4-dimethylthiazole

2,4-dimethyl-2,5-dihydro-1,3-thiazole

C5H9NS (115.0455674)


   

Butyl thiocyanate

Butyl thiocyanate

C5H9NS (115.0455674)


   

T-BUTYLISOTHIOCYANATE

T-BUTYLISOTHIOCYANATE

C5H9NS (115.0455674)


   

N-METHYLTHIOPYRROLIDONE

N-METHYLTHIOPYRROLIDONE

C5H9NS (115.0455674)


   

5-Mercaptopentanenitrile

5-Mercaptopentanenitrile

C5H9NS (115.0455674)


   

Piperidine-2-thione

Piperidine-2-thione

C5H9NS (115.0455674)


   

cyclobutanecarbothioamide

cyclobutanecarbothioamide

C5H9NS (115.0455674)


   

Butanenitrile, 4-(methylthio)-

Butanenitrile, 4-(methylthio)-

C5H9NS (115.0455674)


   

2,4-Dimethyl-3-thiazoline

2,4-Dimethyl-3-thiazoline

C5H9NS (115.0455674)


   

591-82-2

4-04-00-00653 (Beilstein Handbook Reference)

C5H9NS (115.0455674)


   

AI3-18424

Isothiocyanic acid, butyl ester

C5H9NS (115.0455674)


   

Butyl isothiocyanate

1-Isothiocyanatobutane

C5H9NS (115.0455674)


   

(2s)-2-isothiocyanatobutane

(2s)-2-isothiocyanatobutane

C5H9NS (115.0455674)


   

2-butyl isothiocyanate

2-butyl isothiocyanate

C5H9NS (115.0455674)