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Home > Nitro Compounds > 4171-83-9
4171-83-9 | 2-Nitrophenyl Phenyl Sulfide
CAS No: 4171-83-9 Catalog No: AG0033EZ MDL No:MFCD00100508
Product Description
Catalog Number:
AG0033EZ
Chemical Name:
2-Nitrophenyl Phenyl Sulfide
CAS Number:
4171-83-9
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
MDL Number:
MFCD00100508
IUPAC Name:
1-nitro-2-phenylsulfanylbenzene
InChI:
InChI=1S/C12H9NO2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
InChI Key:
ZPWNCSAEXUDWTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Sc1ccccc1
EC Number:
609-953-2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase. | Antimicrobial agents and chemotherapy 19930401 |
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