Cas no 478546-89-3 (Benzenesulfonimidic acid, 4-methyl-, 1-methylethyl ester)
478546-89-3 structure
Product Name:Benzenesulfonimidic acid, 4-methyl-, 1-methylethyl ester
CAS No:478546-89-3
MF:C10H15NO2S
MW:213.29660153389
CID:2828706
PubChem ID:12009030
Update Time:2025-04-21
Benzenesulfonimidic acid, 4-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonimidic acid, 4-methyl-, 1-methylethyl ester
- DTXSID30475727
- 478546-89-3
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- Inchi： 1S/C10H15NO2S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
- InChI Key： XHJCXZRKFZIZQV-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=N)(=O)OC(C)C
Computed Properties
- Exact Mass: 213.08234989Da
- Monoisotopic Mass: 213.08234989Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 58.5?2
Benzenesulfonimidic acid, 4-methyl-, 1-methylethyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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