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1-Bromo-4-[(difluoromethyl)thio]benzene

1-Bromo-4-[(difluoromethyl)thio]benzene - CAS 4837-14-3

Catalog:	BB026528
Product Name:	1-Bromo-4-[(difluoromethyl)thio]benzene
CAS:	4837-14-3
Synonyms:	1-bromo-4-(difluoromethylthio)benzene; 1-bromo-4-(difluoromethylsulfanyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-4-(difluoromethylsulfanyl)benzene
Description:	1-Bromo-4-[(difluoromethyl)thio]benzene (CAS# 4837-14-3) is a useful research chemical.
Molecular Weight:	239.08
Molecular Formula:	C7H5BrF2S
Canonical SMILES:	C1=CC(=CC=C1SC(F)F)Br
InChI:	InChI=1S/C7H5BrF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChI Key:	CPHVJEPYGKUFIB-UHFFFAOYSA-N
MDL:	MFCD00766771
LogP:	3.76380

Publication Number	Title	Priority Date
CN-105985361-B	Difluoro methylthiolation reagent, preparation method and applications	20150216
US-2015336866-A1	Synthesis of difluoromethyl ethers and sulfides	20130101
WO-2014107380-A1	Synthesis of difluoromethyl ethers and sulfides	20130101
EP-2817295-A1	Substituted 5-aminothieno[2,3-c]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor m4	20120223
EP-2817295-B1	Substituted 5-aminothieno[2,3-c]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor m4	20120223

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Related Functional Groups

Halides

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[1936054-65-7]
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[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[856848-33-4]
2-Amino-4,5-dibromopyridine
[393841-81-1]
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Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.92634
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.92634
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1