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881382-52-1 | 1H-Pyrazol-3-amine, N,N'-(dithiodi-2,1-phenylene)bis[5-phenyl-
CAS No: 881382-52-1 Catalog No: AG004H51 MDL No:
Product Description
Catalog Number:
AG004H51
Chemical Name:
1H-Pyrazol-3-amine, N,N'-(dithiodi-2,1-phenylene)bis[5-phenyl-
CAS Number:
881382-52-1
Molecular Formula:
C30H24N6S2
Molecular Weight:
532.6818
IUPAC Name:
5-phenyl-N-[2-[[2-[(5-phenyl-1H-pyrazol-3-yl)amino]phenyl]disulfanyl]phenyl]-1H-pyrazol-3-amine
InChI:
InChI=1S/C30H24N6S2/c1-3-11-21(12-4-1)25-19-29(35-33-25)31-23-15-7-9-17-27(23)37-38-28-18-10-8-16-24(28)32-30-20-26(34-36-30)22-13-5-2-6-14-22/h1-20H,(H2,31,33,35)(H2,32,34,36)
InChI Key:
HEKSYGMECXXHOE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]nc(c1)Nc1ccccc1SSc1ccccc1Nc1n[nH]c(c1)c1ccccc1
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.15g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
532.684g/mol
Monoisotopic Mass:
532.15g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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