Cas no 118425-45-9 (1,2-Benzenedicarbonitrile, 4-(methylsulfonyl)-)
118425-45-9 structure
Product Name:1,2-Benzenedicarbonitrile, 4-(methylsulfonyl)-
CAS No:118425-45-9
MF:C9H6N2O2S
MW:206.221140384674
CID:1207499
PubChem ID:21494605
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 4-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-(methylsulfonyl)-
- 4-methylsulfonylbenzene-1,2-dicarbonitrile
- 118425-45-9
- DTXSID60614889
- SCHEMBL10051874
- 4-(Methanesulfonyl)benzene-1,2-dicarbonitrile
-
- Inchi： 1S/C9H6N2O2S/c1-14(12,13)9-3-2-7(5-10)8(4-9)6-11/h2-4H,1H3
- InChI Key： DQFDXWWVUWSGSI-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(C#N)=C(C#N)C=1)(=O)=O
Computed Properties
- Exact Mass: 206.01499861g/mol
- Monoisotopic Mass: 206.01499861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 403
- 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: 0.6
- Topological Polar Surface Area: 90.1?2
1,2-Benzenedicarbonitrile, 4-(methylsulfonyl)- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
118425-45-9 (1,2-Benzenedicarbonitrile, 4-(methylsulfonyl)-) Related Products
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