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Home > Imidazoles > 69455-35-2
69455-35-2 | 3-(3-Iodophenyl)-5-(phenylmethylene)-2-thioxo-4-imidazolidinone
CAS No: 69455-35-2 Catalog No: AG005Z2C MDL No:
Product Description
Catalog Number:
AG005Z2C
Chemical Name:
3-(3-Iodophenyl)-5-(phenylmethylene)-2-thioxo-4-imidazolidinone
CAS Number:
69455-35-2
Molecular Formula:
C16H11IN2OS
Molecular Weight:
406.2408
IUPAC Name:
5-benzylidene-3-(3-iodophenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C16H11IN2OS/c17-12-7-4-8-13(10-12)19-15(20)14(18-16(19)21)9-11-5-2-1-3-6-11/h1-10H,(H,18,21)
InChI Key:
KOJMZHLEVKJCKI-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)N1C(=S)NC(=Cc2ccccc2)C1=O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.964g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.241g/mol
Monoisotopic Mass:
405.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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