3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile|3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile|3-{[3-Chloro-5...

General Information

Structure

Molecular Formula

C₁₁H₅ClF₃N₃S₂

Molecular Mass

335.7557096

Exact Mass

334.95655152

Charge

InChI

InChI=1S/C11H5ClF3N3S2/c1-5-7(3-16)9(18-20-5)19-10-8(12)2-6(4-17-10)11(13,14)15/h2,4H,1H3

InChIKey

UISMZCIHOJVXST-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(nsc1C)Sc1ncc(cc1Cl)C(F)(F)F

Isomeric Smiles

c1(c(c(sn1)C)C#N)Sc1ncc(cc1Cl)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.086699

LogD (pH = 7.4)

5.0867014

Log P

5.0867014

Molar Refractivity

74.7096

Polarizability

26.770287

Polar Surface Area

49.57

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile

IUPAC Traditional name

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile

Synonyms

3-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfanyl}-5-methyl-4-isothiazolecarbonitrile3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}-4-cyano-5-methylisothiazole 97%3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile

Names and Identifiers

Registration numbers

MDL Number

MFCD00244313

PubChem SID

162045550

PubChem CID

2773908

Registration numbers

Properties

Product Information

Purity