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5-methylpyridine-2-thiol

CAT: 0024-sc-350997Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-350997Size:250 mg
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CAS Number
18368-58-6

Chemical Information

5-Methylpyridine-2(1H)-thione
CAS Number18368-58-6
PubChem CID4297321
IUPAC Name5-methyl-1H-pyridine-2-thione
Molecular FormulaC6H7NS
Molecular Weight125.19
XLogP0.7
Topological Polar Surface Area44.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity167
SMILES
CC1=CNC(=S)C=C1
InChI
InChI=1S/C6H7NS/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChIKey
IYKXPOCKTZADOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylpyridine-2(1H)-thione
CAS: 18368-58-6
CID: 4297321
Formula: C6H7NS
MW: 125.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.19
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass125.02992040
Monoisotopic Mass125.02992040
Topological Polar Surface Area44.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity167
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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Alternative Products

CatalogName
TAA36865-014-Methylpyridine-2-thiol
OR1012036-016-Methylpyridine-2-Thiol
OR92525-013-Methylpyridine-2-thiol
HY-W004681-015-Hydroxy-2-methylpyridine
FB157665-Bromo-2-methylpyridine
VAA97077-015-Methylpyridine-2-carboxamide
TN9657-015-Methoxy-2-methylpyridine
TN9631-015-Acetyl-2-methylpyridine
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