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Piperidine-3-thiol hydrochloride

CAT: 0926-HAC08101-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-HAC08101-01Size:100 mg
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CAS Number
1257081-01-8
MDL Number
MFCD16039582
Smiles
C1CC (CNC1) S.Cl
Molecular Formula
C5H12ClNS
Molecular Weight
153.67 g/mol
Controlled
No

Chemical Information

Piperidine-3-thiol hydrochloride
CAS Number1257081-01-8
PubChem CID56604780
IUPAC Namepiperidine-3-thiol;hydrochloride
Molecular FormulaC5H12ClNS
Molecular Weight153.67
Topological Polar Surface Area13
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity56
SMILES
C1CC(CNC1)S.Cl
InChI
InChI=1S/C5H11NS.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
InChIKey
PTPVVEVNGARLMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperidine-3-thiol hydrochloride
CAS: 1257081-01-8
CID: 56604780
Formula: C5H12ClNS
MW: 153.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.67
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass153.0378983
Monoisotopic Mass153.0378983
Topological Polar Surface Area13 Ų
Heavy Atom Count8
Formal Charge0
Complexity56
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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