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4-Pyridylthioamide

CAT: 0024-sc-205124ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-205124ASize:5 g
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CAS Number
2196-13-6

Chemical Information

4-Pyridinecarbothioamide
CAS Number2196-13-6
PubChem CID2723788
IUPAC Namepyridine-4-carbothioamide
Molecular FormulaC6H6N2S
Molecular Weight138.19
XLogP0.3
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity108
SMILES
C1=CN=CC=C1C(=S)N
InChI
InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey
KPIIGXWUNXGGCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Pyridinecarbothioamide
CAS: 2196-13-6
CID: 2723788
Formula: C6H6N2S
MW: 138.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.19
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.02516937
Monoisotopic Mass138.02516937
Topological Polar Surface Area71 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
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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CatalogName
OR964116-012-Pyridylthioamide
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OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
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