CAS 333-47-1|1-bromo-4-[(trifluoromethyl)sulfanyl]benzene|1-bromo-4-[(trifluoromethyl)sulfanyl]benzene|4-Bromophenyl trifluoromethyl sulfide|4-Bromophenyl trifluoromethyl sulphide 97%|4-[(Trifluorom...

General Information

Structure

Molecular Formula

C₇H₄BrF₃S

Molecular Mass

257.0708696

Exact Mass

255.91691779

Charge

InChI

InChI=1S/C7H4BrF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

InChIKey

CQQBVMXLTBXNLB-UHFFFAOYSA-N

Canonic Smiles

FC(Sc1ccc(cc1)Br)(F)F

Isomeric Smiles

S(C(F)(F)F)c1ccc(cc1)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.710725

LogD (pH = 7.4)

4.710725

Log P

4.710725

Molar Refractivity

46.6663

Polarizability

17.666378

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-bromo-4-[(trifluoromethyl)sulfanyl]benzene

IUPAC name

1-bromo-4-[(trifluoromethyl)sulfanyl]benzene

Synonyms

4-Bromophenyl trifluoromethyl sulfide4-Bromophenyl trifluoromethyl sulphide 97%4-[(Trifluoromethyl)thio]bromobenzene1-Bromo-4-[(trifluoromethyl)thio]benzene1-溴-4-(三氟甲基硫代)苯4-(Trifluoromethylthio)bromobenzene4-(Trifluoromethylthio)bromobenzene4-(Trifluoromethylthio)bromobenzene1-Bromo-4-(trifluoromethylthio)benzene4-Bromophenyl trifluoromethyl sulfide

Names and Identifiers

Registration numbers

Beilstein Number

MDL Number

EC Number

CAS Number

PubChem SID