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Ethylicin

CAT: 0572-TRC-E937780-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E937780-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
682-91-7
Synonyms
Ethanesulfonothioic acid, S-ethyl ester; Ethanesulfonic acid, thio-, S-ethyl ester (6CI,7CI,8CI); Ethanethiol, ethanesulfonate (6CI,8CI); Ethanethiosulfonic acid ethyl ester; Ethyl ethanethiosulfonate; NSC 22422; Pseudoallicin 150; S-Ethyl ethanethiosulfonate; Ethylicin
Hazard Statement
Causes skin irritation
Smiles
CCSS(=O)(=O)CC
Molecular Formula
C4 H10 O2 S2
Molecular Weight
154.25
InChI
InChI=1S/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
Additionnal Information
IUPAC name: 1-ethylsulfonylsulfanylethane
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethylicin

allicin analog

CAS Number682-91-7
PubChem CID229052
IUPAC Name1-ethylsulfonylsulfanylethane
Molecular FormulaC4H10O2S2
Molecular Weight154.3
XLogP0.8
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity131
SMILES
CCSS(=O)(=O)CC
InChI
InChI=1S/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
InChIKey
OICGFSUWXCJLCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethylicin
CAS: 682-91-7
CID: 229052
Formula: C4H10O2S2
MW: 154.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.3
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass154.01222190
Monoisotopic Mass154.01222190
Topological Polar Surface Area67.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity131
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
CS-AC-12094Ethylicin

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