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2- (Methylsulfonyl) Ethanol

CAT: 0127-OR1028893-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1028893-01Size:5 g
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CAS Number
15205-66-0
Synonyms
2-methylsulfonylethanol
Purity
97%
Smiles
CS(=O)(=O)CCO

Chemical Information

2-(Methylsulfonyl)ethanol

structure given in first source

CAS Number15205-66-0
PubChem CID84834
IUPAC Name2-methylsulfonylethanol
Molecular FormulaC3H8O3S
Molecular Weight124.16
XLogP-1.1
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity118
SMILES
CS(=O)(=O)CCO
InChI
InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3
InChIKey
KFTYFTKODBWKOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylsulfonyl)ethanol
CAS: 15205-66-0
CID: 84834
Formula: C3H8O3S
MW: 124.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.16
XLogP3-1.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass124.01941529
Monoisotopic Mass124.01941529
Topological Polar Surface Area62.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
15205-66-02- (METHYLSULFONYL) ETHANOL
sc-334494A(1S) -1-[4- (methylsulfonyl) phenyl]ethanol
sc-339330(1S) -2-bromo-1-[4- (methylsulfonyl) phenyl]ethanol
sc-339289(1R) -2-bromo-1-[4- (methylsulfonyl) phenyl]ethanol
sc-3062832-[4-[2- (Methylsulfonyl) phenyl]piperazin-1-yl]-ethanol
sc-3062852-[4-[4- (Methylsulfonyl) phenyl]piperazin-1-yl]-ethanol
sc-3062822-[4-[2- (Methylsulfonyl) -4-nitrophenyl]-piperazin-1-yl]ethanol
sc-3062842-[4-[2-Fluoro-4- (methylsulfonyl) phenyl]-piperazin-1-yl]ethanol
sc-339336(1S) -2-chloro-1-[1- (methylsulfonyl) -2,3-dihydro-1H-indol-5-yl]ethanol
sc-339295A(1R) -2-chloro-1-[1- (methylsulfonyl) -2,3-dihydro-1H-indol-5-yl]ethanol

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