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72882-73-6 | 2H-Imidazole-2-thione, 1,3-dihydro-4-(4-methoxyphenyl)-5-(4-pyridinyl)-
CAS No: 72882-73-6 Catalog No: AG005E4O MDL No:
Product Description
Catalog Number:
AG005E4O
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-4-(4-methoxyphenyl)-5-(4-pyridinyl)-
CAS Number:
72882-73-6
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
IUPAC Name:
4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C15H13N3OS/c1-19-12-4-2-10(3-5-12)13-14(18-15(20)17-13)11-6-8-16-9-7-11/h2-9H,1H3,(H2,17,18,20)
InChI Key:
CEHJBDNPWDCQRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(=S)[nH]c1c1ccncc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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