Methylsulfonylethanol

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methylsulfonylethanol

2.1.2 InChI

InChI=1S/C3H8O3S/c1-3(4)7(2,5)6/h3-4H,1-2H3

2.1.3 InChI Key

RKMZJVBSOAVGQS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(O)S(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Methylsulfonylethanol

2. Schembl756112

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₃H₈O₃S
Molecular Weight	124.16 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	124.01941529 g/mol
Monoisotopic Mass	124.01941529 g/mol
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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