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155786-93-9 | Benzamide, N-[2-cyano-1-thioxo-2-(triphenylphosphoranylidene)ethyl]-
CAS No: 155786-93-9 Catalog No: AG001O6R MDL No:
Product Description
Catalog Number:
AG001O6R
Chemical Name:
Benzamide, N-[2-cyano-1-thioxo-2-(triphenylphosphoranylidene)ethyl]-
CAS Number:
155786-93-9
Molecular Formula:
C28H21N2OPS
Molecular Weight:
464.5179
IUPAC Name:
N-[2-cyano-2-(triphenyl-λ5-phosphanylidene)ethanethioyl]benzamide
InChI:
InChI=1S/C28H21N2OPS/c29-21-26(28(33)30-27(31)22-13-5-1-6-14-22)32(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,(H,30,31,33)
InChI Key:
NGQLNYJGSCPBQM-UHFFFAOYSA-N
SMILES:
N#CC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=S)NC(=O)c1ccccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.111g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.523g/mol
Monoisotopic Mass:
464.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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