AG003R53

4853-74-1 | Isopropyl methyl sulfone

AG003R53

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CAS Number	4853-74-1
Catalog Number	AG003R53(AGN-PC-0JMQ2W)
Chemical Name	Isopropyl methyl sulfone
IUPAC Name	2-methylsulfonylpropane
InChI	InChI=1S/C4H10O2S/c1-4(2)7(3,5)6/h4H,1-3H3
InChI Key	VTWYQAQIXXAXOR-UHFFFAOYSA-N
MDL Number	MFCD00050415
Molecular Formula	C4H10O2S
Molecular Weight	122.1860
SMILES	O=S(C)(C(C)C)=O
Synonyms	Isopropyl Methyl Sulfone, 4853-74-1, 2-(Methylsulphonyl)propane, Isopropyl methyl sulphone, VTWYQAQIXXAXOR-UHFFFAOYSA-N, i-propylmethylsulfone, Isopropylmethyl sulfone, 2-methylsulfonylpropane, AC1L3CNP, 2-(Methylsulfonyl)propane, ACMC-1AK9V, SCHEMBL92892, 2-(Methylsulfonyl)propane #, 2-METHANESULFONYLPROPANE, CTK1D5952, DTXSID80197548, ZINC2510028, ANW-30667, MFCD00050415, AKOS015852473, DB-013314, TR-017694, FT-0713909, I0484, Sulfone, isopropyl methyl, Propane, 2-(methylsulfonyl)-, CID138372,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.04g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	122.182g/mol
Monoisotopic Mass	122.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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