Methylthiomethyl phenyl sulfone - CAS 59431-14-0

Catalog:	BB030379
Product Name:	Methylthiomethyl phenyl sulfone
CAS:	59431-14-0
Synonyms:	methylsulfanylmethylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	methylsulfanylmethylsulfonylbenzene
Description:	Methylthiomethyl phenyl sulfone (CAS# 59431-14-0 ) is a useful research chemical.
Molecular Weight:	202.29
Molecular Formula:	C8H10O2S2
Canonical SMILES:	CSCS(=O)(=O)C1=CC=CC=C1
InChI:	InChI=1S/C8H10O2S2/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:	XBGGZYQBIQAYII-UHFFFAOYSA-N
Boiling Point:	358.4 °C at 760 mmHg
Density:	1.251 g/cm³
MDL:	MFCD00075517
LogP:	2.86160

Publication Number	Title	Priority Date
BR-PI0718654-A2	COMPOSITION, PHARMACEUTICAL COMPOSITION, ENANCIOMER, NEUROBIOLOGICALLY ACTIVE COMPOSITION, AND METHODS FOR TREATMENT OR PREVENTION OF A CENTRAL NERVOUS SYSTEM DISORDER IN A MAMMALIAN PATIENT AND FOR THE MANUFACTURE OF A COMPOSITION.	20061107
CA-2705457-A1	Novel arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use	20061107
EP-2086328-A2	Novel arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use	20061107
JP-2010509334-A	Novel arylbicyclo [3.1.0] hexylamines and methods and compositions for their preparation and use	20061107
KR-20090079984-A	Novel arylbicyclo [3.1.0] hexylamines and methods and compositions for the preparation and use thereof	20061107

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.01222190
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.01222190
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9