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116142-41-7 | Triazane, 1,3-diphenyl-2-(phenylthioxomethyl)- (9CI)
CAS No: 116142-41-7 Catalog No: AG000BRA MDL No:
Product Description
Catalog Number:
AG000BRA
Chemical Name:
Triazane, 1,3-diphenyl-2-(phenylthioxomethyl)- (9CI)
CAS Number:
116142-41-7
Molecular Formula:
C19H17N3S
Molecular Weight:
319.4234
IUPAC Name:
N,N-dianilinobenzenecarbothioamide
InChI:
InChI=1S/C19H17N3S/c23-19(16-10-4-1-5-11-16)22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,20-21H
InChI Key:
BKUJLXHFUUNVLH-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)N(Nc1ccccc1)Nc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.426g/mol
Monoisotopic Mass:
319.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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