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90012-57-0 | Imidazo[4,5-c]pyrazole-5(1H)-thione, 4,6-dihydro-1,3-diphenyl-
CAS No: 90012-57-0 Catalog No: AG006M5N MDL No:
Product Description
Catalog Number:
AG006M5N
Chemical Name:
Imidazo[4,5-c]pyrazole-5(1H)-thione, 4,6-dihydro-1,3-diphenyl-
CAS Number:
90012-57-0
Molecular Formula:
C16H12N4S
Molecular Weight:
292.3583
IUPAC Name:
1,3-diphenyl-4,6-dihydroimidazo[4,5-c]pyrazole-5-thione
InChI:
InChI=1S/C16H12N4S/c21-16-17-14-13(11-7-3-1-4-8-11)19-20(15(14)18-16)12-9-5-2-6-10-12/h1-10H,(H2,17,18,21)
InChI Key:
WRSOWCMOFAGCGZ-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)c(nn2c1ccccc1)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.36g/mol
Monoisotopic Mass:
292.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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