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18995-01-2 | Phosphonothioic diamide, N,N',P-triphenyl- (6CI,8CI,9CI)
CAS No: 18995-01-2 Catalog No: AG002E6W MDL No:
Product Description
Catalog Number:
AG002E6W
Chemical Name:
Phosphonothioic diamide, N,N',P-triphenyl- (6CI,8CI,9CI)
CAS Number:
18995-01-2
Molecular Formula:
C18H17N2PS
Molecular Weight:
324.3797
IUPAC Name:
N-[anilino(phenyl)phosphinothioyl]aniline
InChI:
InChI=1S/C18H17N2PS/c22-21(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)20-17-12-6-2-7-13-17/h1-15H,(H2,19,20,22)
InChI Key:
GZOIKJPNQRHEFN-UHFFFAOYSA-N
SMILES:
S=P(c1ccccc1)(Nc1ccccc1)Nc1ccccc1
NSC Number:
6371
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.382g/mol
Monoisotopic Mass:
324.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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