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86956-75-4 | Thiourea, N'-(3-chloro-4-methylphenyl)-N,N-bis(phenylmethyl)-
CAS No: 86956-75-4 Catalog No: AG004L4B MDL No:
Product Description
Catalog Number:
AG004L4B
Chemical Name:
Thiourea, N'-(3-chloro-4-methylphenyl)-N,N-bis(phenylmethyl)-
CAS Number:
86956-75-4
Molecular Formula:
C22H21ClN2S
Molecular Weight:
380.9335
IUPAC Name:
1,1-dibenzyl-3-(3-chloro-4-methylphenyl)thiourea
InChI:
InChI=1S/C22H21ClN2S/c1-17-12-13-20(14-21(17)23)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)
InChI Key:
YDNVLBSSWGOUET-UHFFFAOYSA-N
SMILES:
S=C(N(Cc1ccccc1)Cc1ccccc1)Nc1ccc(c(c1)Cl)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.934g/mol
Monoisotopic Mass:
380.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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