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4-Bromo-3-fluorobenzenethiol

4-Bromo-3-fluorobenzenethiol - CAS 942473-86-1

Catalog:	BB041251
Product Name:	4-Bromo-3-fluorobenzenethiol
CAS:	942473-86-1
Synonyms:	4-bromo-3-fluorobenzenethiol; 4-bromo-3-fluorobenzenethiol

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-3-fluorobenzenethiol
Description:	4-Bromo-3-fluorobenzenethiol (CAS# 942473-86-1) is a useful research chemical compound.
Molecular Weight:	207.06
Molecular Formula:	C6H4BrFS
Canonical SMILES:	C1=CC(=C(C=C1S)F)Br
InChI:	InChI=1S/C6H4BrFS/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:	QWSUMJXRROQYPN-UHFFFAOYSA-N
MDL:	MFCD09475476
LogP:	2.87690

Publication Number	Title	Priority Date
WO-2020212581-A1	N-acyl-{4-[(4-aryl-phenyl)sulfonylmethyl]piperidine} compounds and their therapeutic use	20190418
WO-2020035560-A1	1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use	20180815
CN-112805270-A	1-methyl-4- [ (4-phenylphenyl) sulfonylmethyl ] cyclohexanol and 1-methyl-4- [ [4- (2-pyridinyl) phenyl ] sulfonylmethyl ] cyclohexanol compounds and therapeutic uses thereof	20180815
EP-3837244-A1	1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use	20180815
KR-20210044802-A	1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compound and its Therapeutic use	20180815

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Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.92011
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.92011
Rotatable Bond Count:	0
Topological Polar Surface Area:	1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9