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2- (Butylamino) Ethanethiol

CAT: 0127-OR1030465-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1030465-01Size:100 mg
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CAS Number
5842-00-2
Synonyms
2- (butylamino) ethanethiol
Purity
97%
Smiles
CCCCNCCS

Chemical Information

2-(Butylamino)ethanethiol
CAS Number5842-00-2
PubChem CID1520
IUPAC Name2-(butylamino)ethanethiol
Molecular FormulaC6H15NS
Molecular Weight133.26
XLogP1.3
Topological Polar Surface Area13
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity39
SMILES
CCCCNCCS
InChI
InChI=1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
InChIKey
OUMFAUYLXGTBCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Butylamino)ethanethiol
CAS: 5842-00-2
CID: 1520
Formula: C6H15NS
MW: 133.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.26
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass133.09252066
Monoisotopic Mass133.09252066
Topological Polar Surface Area13 Ų
Heavy Atom Count8
Formal Charge0
Complexity39.5
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

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