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13789-63-4 | Phosphonothioic diamide, P-methyl-N,N'-diphenyl- (6CI,8CI,9CI)
CAS No: 13789-63-4 Catalog No: AG00141B MDL No:
Product Description
Catalog Number:
AG00141B
Chemical Name:
Phosphonothioic diamide, P-methyl-N,N'-diphenyl- (6CI,8CI,9CI)
CAS Number:
13789-63-4
Molecular Formula:
C13H15N2PS
Molecular Weight:
262.3104
IUPAC Name:
N-[anilino(methyl)phosphinothioyl]aniline
InChI:
InChI=1S/C13H15N2PS/c1-16(17,14-12-8-4-2-5-9-12)15-13-10-6-3-7-11-13/h2-11H,1H3,(H2,14,15,17)
InChI Key:
CCNPDDKYTMKIME-UHFFFAOYSA-N
SMILES:
CP(=S)(Nc1ccccc1)Nc1ccccc1
NSC Number:
202869
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.311g/mol
Monoisotopic Mass:
262.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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