Cas no 93778-19-9 (Benzenamine,5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]-)
![Benzenamine,5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]- structure](https://ossimg.kuujia.com/scimg/94000/93778-19-9x500.png)
93778-19-9 structure
Product Name:Benzenamine,5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]-
CAS No:93778-19-9
MF:C13H12N2O4S2
MW:324.375380516052
CID:806176
PubChem ID:3022327
Update Time:2025-04-19
Benzenamine,5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]-
- 5-mesyl-2-[(2-nitrophenyl)thio]aniline
- 5-methylsulfonyl-2-(2-nitrophenyl)sulfanylaniline
- EINECS 298-153-3
- 5-Mesyl-2-((2-nitrophenyl)thio)aniline
- M4HX59V2CR
- 93778-19-9
- Benzenamine, 5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]-
- DTXSID70239628
- 5-(Methylsulfonyl)-2-[(2-nitrophenyl)thio]benzenamine
- NS00039613
-
- Inchi： 1S/C13H12N2O4S2/c1-21(18,19)9-6-7-12(10(14)8-9)20-13-5-3-2-4-11(13)15(16)17/h2-8H,14H2,1H3
- InChI Key： QVTHYCXLXGKSTI-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=C(C=1)N)SC1C=CC=CC=1[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 324.024
- Monoisotopic Mass: 324.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 472
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 140?2
Experimental Properties
- Density: 1.51
- Boiling Point: 535.1°Cat760mmHg
- Flash Point: 277.4°C
- Refractive Index: 1.695
Benzenamine,5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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