2-(Methylsulfonyl)benzyl Alcohol - CAS 864265-08-7

Catalog:	BB037924
Product Name:	2-(Methylsulfonyl)benzyl Alcohol
CAS:	864265-08-7
Synonyms:	(2-methylsulfonylphenyl)methanol; (2-methylsulfonylphenyl)methanol

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Computed Properties

IUPAC Name:	(2-methylsulfonylphenyl)methanol
Description:	2-(Methylsulfonyl)benzyl Alcohol (CAS# 864265-08-7) is an intermediate used in the synthetic preparation of thiophene inhibitors of polo-like kinase.
Molecular Weight:	186.23
Molecular Formula:	C8H10O3S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1CO
InChI:	InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChI Key:	RKXFAGRISWUJGO-UHFFFAOYSA-N
LogP:	1.66320

Publication Number	Title	Priority Date
AU-2017207291-A1	Methods for the treatment of myeloid derived suppressor cells related disorders	20160111
US-2013196952-A1	Heterocyclic derivatives for the treatment of diseases	20100504
US-8916593-B2	Alkoxy-substituted 2-aminopyridines as ALK inhibitors	20100504
EP-2288594-A1	Imidazolidine derivatives	20080611
US-2009312382-A1	Novel imidazolidine derivatives	20080611

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.03506535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.03506535
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3