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2- (Ethylthio) ethylamine

CAT: 0024-sc-280261Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-280261Size:5 g
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CAS Number
36489-03-9

Chemical Information

Ethanamine, 2-(ethylthio)-
CAS Number36489-03-9
PubChem CID148011
IUPAC Name2-ethylsulfanylethanamine
Molecular FormulaC4H11NS
Molecular Weight105.20
XLogP0.3
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
CCSCCN
InChI
InChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3
InChIKey
HJCTVUWPHAZTLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanamine, 2-(ethylthio)-
CAS: 36489-03-9
CID: 148011
Formula: C4H11NS
MW: 105.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight105.20
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass105.06122053
Monoisotopic Mass105.06122053
Topological Polar Surface Area51.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
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