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Home > Pyridines > 102368-13-8
102368-13-8 | 2(1H)-Pyridinone, 1,1'-carbonothioylbis-
CAS No: 102368-13-8 Catalog No: AG0007AH MDL No:MFCD00075238
Product Description
Catalog Number:
AG0007AH
Chemical Name:
2(1H)-Pyridinone, 1,1'-carbonothioylbis-
CAS Number:
102368-13-8
Molecular Formula:
C11H8N2O2S
Molecular Weight:
232.2584
MDL Number:
MFCD00075238
IUPAC Name:
1-(2-oxopyridine-1-carbothioyl)pyridin-2-one
InChI:
InChI=1S/C11H8N2O2S/c14-9-5-1-3-7-12(9)11(16)13-8-4-2-6-10(13)15/h1-8H
InChI Key:
KXMMNJQMGILZDB-UHFFFAOYSA-N
SMILES:
O=c1ccccn1C(=S)n1ccccc1=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.257g/mol
Monoisotopic Mass:
232.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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