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Home > Pyridines > 342602-97-5
342602-97-5 | 5-methoxypyridine-3-carbothioamide
CAS No: 342602-97-5 Catalog No: AG01B6P1 MDL No:MFCD18259385
Product Description
Catalog Number:
AG01B6P1
Chemical Name:
5-methoxypyridine-3-carbothioamide
CAS Number:
342602-97-5
Molecular Formula:
C7H8N2OS
Molecular Weight:
168.2162
MDL Number:
MFCD18259385
IUPAC Name:
5-methoxypyridine-3-carbothioamide
InChI:
InChI=1S/C7H8N2OS/c1-10-6-2-5(7(8)11)3-9-4-6/h2-4H,1H3,(H2,8,11)
InChI Key:
FIRBETJWLABMRT-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)C(=S)N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.214g/mol
Monoisotopic Mass:
168.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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