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Home > Pyridines > 128971-67-5
128971-67-5 | 4(3H)-Pyridinethione
CAS No: 128971-67-5 Catalog No: AG000YQA MDL No:
Product Description
Catalog Number:
AG000YQA
Chemical Name:
4(3H)-Pyridinethione
CAS Number:
128971-67-5
Molecular Formula:
C5H5NS
Molecular Weight:
111.1649
IUPAC Name:
3H-pyridine-4-thione
InChI:
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1,3-4H,2H2
InChI Key:
OWEKKVZCXWKHAO-UHFFFAOYSA-N
SMILES:
S=C1CC=NC=C1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.162g/mol
Monoisotopic Mass:
111.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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