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Home > Nitro Compounds > 88047-01-2
88047-01-2 | Benzenesulfenamide, N-(4-nitrophenyl)-N-(phenylthio)-
CAS No: 88047-01-2 Catalog No: AG004G3D MDL No:
Product Description
Catalog Number:
AG004G3D
Chemical Name:
Benzenesulfenamide, N-(4-nitrophenyl)-N-(phenylthio)-
CAS Number:
88047-01-2
Molecular Formula:
C18H14N2O2S2
Molecular Weight:
354.4460
IUPAC Name:
4-nitro-N,N-bis(phenylsulfanyl)aniline
InChI:
InChI=1S/C18H14N2O2S2/c21-19(22)15-11-13-16(14-12-15)20(23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14H
InChI Key:
MYDUHULRVGTRFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.442g/mol
Monoisotopic Mass:
354.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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