4-Pyridinecarbothioamide, 2-propyl-, S-oxide


Chemical Name: 4-Pyridinecarbothioamide, 2-propyl-, S-oxide
CAS Number: 62178-61-4
Product Number: AG00EEU1(AGN-PC-0JLP14)
Synonyms:
MDL No:
Molecular Formula: C9H12N2OS
Molecular Weight: 196.26938

Identification/Properties


Computed Properties
Molecular Weight:
196.268g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
196.067g/mol
Monoisotopic Mass:
196.067g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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