化合物信息

ID:52308

InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

LIMQQADUEULBSO-UHFFFAOYSA-N

LogD (pH = 7.4)

2.39

LogD (pH = 5.5)

2.39

Log P

2.39

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

1.63

极化表面积

12.36

极化性

13.38

摩尔折射率

35.20

LOG S

-2.13

butyl isothiocyanate

1-isothiocyanatobutane

Butyl isothiocyanate1-Isothiocyanatobutane正丁基异硫代氰酸酯1-Butyl isothiocyanateNBUTYL ISOTHIOCYANATEn-Butyl mustard oil异硫氰酸丁酯正丁基芥末油Butyl isothiocyanateBITCBuNCSisothiocyanic acid n-butyl esterbutyl isothiocyanateisothiocyanic acid, butyl esterButylsenfoelbutyl mustard oiln-butyl isothiocyanate

MetaboLights数据库

05205809

MP Biomedicals Rare Chemical collection

W408201

Application
可能的用途：日本芥末、辣根、沙拉等调味料，洋葱和大蒜味，热带蔬果味。1
Biochem/physiol Actions
0.5-5ppm 时的味道：像辣根和卷心菜；像根芥菜、日本芥末、萝卜味；有辛辣和金属余味。1
1.0% 时的气味：有轻微的辛辣味，像根芥菜、辣根和日本芥末；有硫磺、洋葱和大蒜的辣味。1

253790

包装
5, 25 g in glass bottle

CHEBI:50534

An isothiocyanate having a butyl group attached to the nitrogen.