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100739-74-0 | Thiourea, N-(4-methylphenyl)-N'-[[(4-methylphenyl)amino][(4-methylphenyl)imino]methyl]-
CAS No: 100739-74-0 Catalog No: AG0002R3 MDL No:
Product Description
Catalog Number:
AG0002R3
Chemical Name:
Thiourea, N-(4-methylphenyl)-N'-[[(4-methylphenyl)amino][(4-methylphenyl)imino]methyl]-
CAS Number:
100739-74-0
Molecular Formula:
C23H24N4S
Molecular Weight:
388.5285
IUPAC Name:
1-[bis(4-methylanilino)methylidene]-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C23H24N4S/c1-16-4-10-19(11-5-16)24-22(25-20-12-6-17(2)7-13-20)27-23(28)26-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,24,25,26,27,28)
InChI Key:
ZIXZUZDXUINTNT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=S)NC(=Nc1ccc(cc1)C)Nc1ccc(cc1)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.172g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.533g/mol
Monoisotopic Mass:
388.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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