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Ethyl Methanesulfonate

CAT: 0127-OR1013246-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013246-01Size:25 g
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CAS Number
62-50-0
MDL Number
MFCD00007559
Purity
99%
Smiles
CS(=O)(OCC)=O

Chemical Information

Ethyl Methanesulfonate

Ethyl Methanesulfonate can cause cancer according to an independent committee of scientific and health experts.

CAS Number62-50-0
PubChem CID6113
IUPAC Nameethyl methanesulfonate
Molecular FormulaC3H8O3S
Molecular Weight124.16
XLogP0
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity118
SMILES
CCOS(=O)(=O)C
InChI
InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
InChIKey
PLUBXMRUUVWRLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Methanesulfonate
CAS: 62-50-0
CID: 6113
Formula: C3H8O3S
MW: 124.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight124.16
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass124.01941529
Monoisotopic Mass124.01941529
Topological Polar Surface Area51.8 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