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5-Chloropyridine-2-thiol

CAT: 0127-OR3682Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR3682Size:250 mg
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CAS Number
40771-41-3
Synonyms
5-Chloro-2-mercaptopyridine
MDL Number
MFCD00661468
Purity
95%
Smiles
Sc1ccc(Cl)cn1
Storage Conditions
Store at 2-8°C

Chemical Information

5-Chloropyridine-2-thiol
CAS Number40771-41-3
PubChem CID3843730
IUPAC Name5-chloro-1H-pyridine-2-thione
Molecular FormulaC5H4ClNS
Molecular Weight145.61
XLogP1.2
Topological Polar Surface Area44.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity171
SMILES
C1=CC(=S)NC=C1Cl
InChI
InChI=1S/C5H4ClNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
FNXPASNYGUMVGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloropyridine-2-thiol
CAS: 40771-41-3
CID: 3843730
Formula: C5H4ClNS
MW: 145.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.61
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass144.9752980
Monoisotopic Mass144.9752980
Topological Polar Surface Area44.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity171
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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