Cas no 75794-22-8 (Benzenamine, 4-[(1-methylethyl)thio]-2-nitro-)
![Benzenamine, 4-[(1-methylethyl)thio]-2-nitro- structure](https://ossimg.kuujia.com/scimg/76000/75794-22-8x500.png)
75794-22-8 structure
Product Name:Benzenamine, 4-[(1-methylethyl)thio]-2-nitro-
CAS No:75794-22-8
MF:C9H12N2O2S
MW:212.268780708313
CID:538980
PubChem ID:14273285
Update Time:2025-04-19
Benzenamine, 4-[(1-methylethyl)thio]-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-[(1-methylethyl)thio]-2-nitro-
- 2-nitro-4-propan-2-ylsulfanylaniline
- DTXSID40558313
- 2-Nitro-4-[(propan-2-yl)sulfanyl]aniline
- 75794-22-8
-
- Inchi： 1S/C9H12N2O2S/c1-6(2)14-7-3-4-8(10)9(5-7)11(12)13/h3-6H,10H2,1-2H3
- InChI Key： WSARNJHRJTWPIU-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C=1)[N+](=O)[O-])N)C(C)C
Computed Properties
- Exact Mass: 212.06194880g/mol
- Monoisotopic Mass: 212.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 206
- 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: 2.5
- Topological Polar Surface Area: 97.1?2
Benzenamine, 4-[(1-methylethyl)thio]-2-nitro- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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