S,S-Dimethylsulfoximine - CAS 1520-31-6

Catalog:	BB010738
Product Name:	S,S-Dimethylsulfoximine
CAS:	1520-31-6
Synonyms:	imino-dimethyl-oxo-$l^{6}-sulfane; imino-dimethyl-oxo-$l^{6}-sulfane

Technical Data

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Computed Properties

IUPAC Name:	imino-dimethyl-oxo-λ6-sulfane
Description:	S,S-Dimethylsulfoximine (CAS# 1520-31-6) is a useful reactant for the synthesis of N-sulfenyl sulfoximines derivatives and as well as useful for N-thioetherification of NH-sulfoximines.
Molecular Weight:	93.15
Molecular Formula:	C2H7NOS
Canonical SMILES:	CS(=N)(=O)C
InChI:	InChI=1S/C2H7NOS/c1-5(2,3)4/h3H,1-2H3
InChI Key:	DTGSFFWQUULHIF-UHFFFAOYSA-N
Boiling Point:	105.4 ℃ at 760 mmHg
Density:	1.13 g/cm³
Appearance:	Solid
MDL:	MFCD02656633
LogP:	1.25820

Publication Number	Title	Priority Date
US-2015025065-A1	New azabenzimidazole derivatives	20130717
US-2015005278-A1	Sulfoximine substituted quinazolines for pharmaceutical compositions	20130628
US-2015361055-A1	Sulfoximine substituted quinazolines for pharmaceutical compositions	20130628
US-9139577-B2	Sulfoximine substituted quinazolines for pharmaceutical compositions	20130628
US-2014275025-A1	Substituted 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin c	20130314

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Related Functional Groups

Nitrogen Compounds

[55877-31-1]
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[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	93.02483502
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	93.02483502
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9