Cas no 82126-74-7 (Benzenesulfonyl isocyanate, 2-(methylsulfonyl)-)
82126-74-7 structure
Product Name:Benzenesulfonyl isocyanate, 2-(methylsulfonyl)-
CAS No:82126-74-7
MF:C8H7NO5S2
MW:261.274879693985
CID:697844
PubChem ID:13093968
Update Time:2025-04-19
Benzenesulfonyl isocyanate, 2-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl isocyanate, 2-(methylsulfonyl)-
- 2-methylsulfonyl-N-(oxomethylidene)benzenesulfonamide
- 2-methylsulfonylbenzenesulfonyl isocyanate
- DTXSID10517972
- SCHEMBL10747298
- 2-(Methanesulfonyl)benzene-1-sulfonyl isocyanate
- 82126-74-7
- 2-methylsulfonylbenzenesulfonylisocyanate
- GEUWGNYLBKLCQW-UHFFFAOYSA-N
-
- Inchi： 1S/C8H7NO5S2/c1-15(11,12)7-4-2-3-5-8(7)16(13,14)9-6-10/h2-5H,1H3
- InChI Key： GEUWGNYLBKLCQW-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC=CC=1S(N=C=O)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 260.97656467g/mol
- Monoisotopic Mass: 260.97656467g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 490
- 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: 1.5
- Topological Polar Surface Area: 115?2
Benzenesulfonyl isocyanate, 2-(methylsulfonyl)- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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