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Ethyl Ethanesulfonate

CAT: 0572-TRC-E676565-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E676565-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1912-30-7
Synonyms
Ethanesulfonic Acid Ethyl Ester; Ethylethane Sulfonate:
Hazard Statement
Causes skin irritation.
Purity
>95% (GC)
Smiles
CCOS(CC)(=O)=O
Molecular Formula
C4H10O3S
Molecular Weight
138.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl ethanesulfonate
CAS Number1912-30-7
PubChem CID74704
IUPAC Nameethyl ethanesulfonate
Molecular FormulaC4H10O3S
Molecular Weight138.19
XLogP0.4
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity130
SMILES
CCOS(=O)(=O)CC
InChI
InChI=1S/C4H10O3S/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
InChIKey
PPCXFTKZPBHXIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl ethanesulfonate
CAS: 1912-30-7
CID: 74704
Formula: C4H10O3S
MW: 138.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.19
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass138.03506535
Monoisotopic Mass138.03506535
Topological Polar Surface Area51.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity130
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