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Home > Pyridines > 1193388-91-8
1193388-91-8 | 2-methoxy-4,6-dimethylpyridine-3-carbothioamide
CAS No: 1193388-91-8 Catalog No: AG019R2D MDL No:MFCD12913265
Product Description
Catalog Number:
AG019R2D
Chemical Name:
2-methoxy-4,6-dimethylpyridine-3-carbothioamide
CAS Number:
1193388-91-8
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD12913265
IUPAC Name:
2-methoxy-4,6-dimethylpyridine-3-carbothioamide
InChI:
InChI=1S/C9H12N2OS/c1-5-4-6(2)11-9(12-3)7(5)8(10)13/h4H,1-3H3,(H2,10,13)
InChI Key:
OIYGRDBXNDSMJW-UHFFFAOYSA-N
SMILES:
COc1nc(C)cc(c1C(=S)N)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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