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Home > Imidazoles > 69580-25-2
69580-25-2 | 4-Imidazolidinone, 5-(2-pyridinylmethylene)-2-thioxo-, (5Z)-
CAS No: 69580-25-2 Catalog No: AG005K47 MDL No:
Product Description
Catalog Number:
AG005K47
Chemical Name:
4-Imidazolidinone, 5-(2-pyridinylmethylene)-2-thioxo-, (5Z)-
CAS Number:
69580-25-2
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
IUPAC Name:
5-(pyridin-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C9H7N3OS/c13-8-7(11-9(14)12-8)5-6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14)
InChI Key:
DRMFCOHNVXPTHL-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)/C(=C/c2ccccn2)/N1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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