化合物信息

ID:121594

InChI=1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H

DQEVDFQAYLIBRD-UHFFFAOYSA-N

S=C=Nc1ccc(cc1)C(F)(F)F

C(c1ccc(N=C=S)cc1)(F)(F)F

质子受体

质子供体

LogD (pH = 5.5)

3.8729181

LogD (pH = 7.4)

3.8729196

Log P

3.8729196

摩尔折射率

49.0946

极化性

17.10908

极化表面积

12.36

可自由旋转的化学键

里宾斯基五规则

true

1-isothiocyanato-4-(trifluoromethyl)benzene4-(Trifluoromethyl)phenyl isothiocyanate4-(三氟甲基)苯基异硫氰酸酯alpha,alpha,alpha-Trifluoro-p-tolyl isothiocyanate4-三氟甲基苯基硫代异氰酸酯

1-isothiocyanato-4-(trifluoromethyl)benzene

III

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

34-42

20/21/22-34