Chloromethyl phenyl sulfoxide - CAS 7205-94-9

Catalog:	BB034527
Product Name:	Chloromethyl phenyl sulfoxide
CAS:	7205-94-9
Synonyms:	chloromethylsulfinylbenzene

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Computed Properties

IUPAC Name:	chloromethylsulfinylbenzene
Description:	Chloromethyl phenyl sulfoxide (CAS# 7205-94-9 ) is a useful research chemical.
Molecular Weight:	174.65
Molecular Formula:	C7H7ClOS
Canonical SMILES:	C1=CC=C(C=C1)S(=O)CCl
InChI:	InChI=1S/C7H7ClOS/c8-6-10(9)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:	WCUSVVDFUIMPKY-UHFFFAOYSA-N
Boiling Point:	109-111 ℃ / 0.01 mmHg
Density:	1.35 g/cm³
MDL:	MFCD00042639
LogP:	2.85620

Publication Number	Title	Priority Date
JP-2017052730-A	Method for producing sulfone compound	20150910
CN-108012528-A	Regulate and control the composition and method of short-chain dehydrogenase enzymatic activity	20150414
TW-201435344-A	A fabrication method of molecularly imprinted polymeric thin film coated nanostructure biosensor for the examination of urinary biomarkers	20130304
CN-103249716-A	Electrophilic reagents for monohalomethylation,their preparation and their uses	20101027
CN-106986804-A	The electrophilic reagent based on sulfonium cation, its preparation and use for the transfer of monohaloalkyl methyl group	20101027

PMID	Publication Date	Title	Journal
14991922	20040101	Development of new synthetic methods with aryl 1-chlorovinyl sulfoxides	Chemical record (New York, N.Y.)

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Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.9906137
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.9906137
Rotatable Bond Count:	2
Topological Polar Surface Area:	36.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7