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162781-32-0 | Thiourea, N,N''-(thiodi-4,1-phenylene)bis[N'-phenyl-
CAS No: 162781-32-0 Catalog No: AG007WM5 MDL No:
Product Description
Catalog Number:
AG007WM5
Chemical Name:
Thiourea, N,N''-(thiodi-4,1-phenylene)bis[N'-phenyl-
CAS Number:
162781-32-0
Molecular Formula:
C26H22N4S3
Molecular Weight:
486.6747
IUPAC Name:
1-phenyl-3-[4-[4-(phenylcarbamothioylamino)phenyl]sulfanylphenyl]thiourea
InChI:
InChI=1S/C26H22N4S3/c31-25(27-19-7-3-1-4-8-19)29-21-11-15-23(16-12-21)33-24-17-13-22(14-18-24)30-26(32)28-20-9-5-2-6-10-20/h1-18H,(H2,27,29,31)(H2,28,30,32)
InChI Key:
FPTKXPWBWXVTJC-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)Nc1ccc(cc1)Sc1ccc(cc1)NC(=S)Nc1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.101g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
486.67g/mol
Monoisotopic Mass:
486.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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