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Home > Imidazoles > 100899-17-0
100899-17-0 | 4-Imidazolidinone, 5,5-di-2-pyridinyl-2-thioxo-
CAS No: 100899-17-0 Catalog No: AG00034C MDL No:
Product Description
Catalog Number:
AG00034C
Chemical Name:
4-Imidazolidinone, 5,5-di-2-pyridinyl-2-thioxo-
CAS Number:
100899-17-0
Molecular Formula:
C13H10N4OS
Molecular Weight:
270.3097
IUPAC Name:
5,5-dipyridin-2-yl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H10N4OS/c18-11-13(17-12(19)16-11,9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8H,(H2,16,17,18,19)
InChI Key:
GTGXIDMIPMZOLV-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(N1)(c1ccccn1)c1ccccn1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.31g/mol
Monoisotopic Mass:
270.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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