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138249-52-2 | [1,1':3',1''-Terphenyl]-5'-carbothioamide, N,N-bis(4-methylphenyl)- (9CI)
CAS No: 138249-52-2 Catalog No: AG0018EI MDL No:
Product Description
Catalog Number:
AG0018EI
Chemical Name:
[1,1':3',1''-Terphenyl]-5'-carbothioamide, N,N-bis(4-methylphenyl)- (9CI)
CAS Number:
138249-52-2
Molecular Formula:
C33H27NS
Molecular Weight:
469.6392
IUPAC Name:
N,N-bis(4-methylphenyl)-3,5-diphenylbenzenecarbothioamide
InChI:
InChI=1S/C33H27NS/c1-24-13-17-31(18-14-24)34(32-19-15-25(2)16-20-32)33(35)30-22-28(26-9-5-3-6-10-26)21-29(23-30)27-11-7-4-8-12-27/h3-23H,1-2H3
InChI Key:
RYMMDXDEBKFQFL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(C(=S)c1cc(cc(c1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.186g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.646g/mol
Monoisotopic Mass:
469.186g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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