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Home > Imidazoles > 846546-56-3
846546-56-3 | 2-Imidazolidinethione, 1,3-bis(4-pyridinylcarbonyl)-
CAS No: 846546-56-3 Catalog No: AG004Q0P MDL No:
Product Description
Catalog Number:
AG004Q0P
Chemical Name:
2-Imidazolidinethione, 1,3-bis(4-pyridinylcarbonyl)-
CAS Number:
846546-56-3
Molecular Formula:
C15H12N4O2S
Molecular Weight:
312.3464
IUPAC Name:
[3-(pyridine-4-carbonyl)-2-sulfanylideneimidazolidin-1-yl]-pyridin-4-ylmethanone
InChI:
InChI=1S/C15H12N4O2S/c20-13(11-1-5-16-6-2-11)18-9-10-19(15(18)22)14(21)12-3-7-17-8-4-12/h1-8H,9-10H2
InChI Key:
KNTWWOSEZNILLF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(C1=S)C(=O)c1ccncc1)c1ccncc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.347g/mol
Monoisotopic Mass:
312.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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