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3- (Dimethylamino) -1-Propanethiol

CAT: 0127-OR1010698-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1010698-01Size:250 mg
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CAS Number
42302-17-0
MDL Number
MFCD00128221
Purity
95%
Smiles
SCCCN(C)C

Chemical Information

3-(Dimethylamino)-1-propanethiol
CAS Number42302-17-0
PubChem CID3016998
IUPAC Name3-(dimethylamino)propane-1-thiol
Molecular FormulaC5H13NS
Molecular Weight119.23
XLogP0.9
Topological Polar Surface Area4.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity37
SMILES
CN(C)CCCS
InChI
InChI=1S/C5H13NS/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
InChIKey
HSAYSFNFCZEPCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Dimethylamino)-1-propanethiol
CAS: 42302-17-0
CID: 3016998
Formula: C5H13NS
MW: 119.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.23
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass119.07687059
Monoisotopic Mass119.07687059
Topological Polar Surface Area4.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.1
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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