Cas no 66236-09-7 (Methanesulfonamide, N-(2,6-dimethylphenyl)-)
66236-09-7 structure
Product Name:Methanesulfonamide, N-(2,6-dimethylphenyl)-
CAS No:66236-09-7
MF:C9H13NO2S
MW:199.27002120018
CID:1706163
PubChem ID:686475
Update Time:2025-04-21
Methanesulfonamide, N-(2,6-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonamide, N-(2,6-dimethylphenyl)-
- AKOS003253399
- C9H13NO2S
- HMS1538O18
- WAE
- 66236-09-7
- STK029491
- NCGC00174120-01
- AN-652/40194426
- SCHEMBL10391939
- CLMPXVSJALKBTQ-UHFFFAOYSA-N
- N-(2,6-dimethylphenyl)methanesulfonamide
- TimTec1_001734
- N-(2,6-dimethylphenyl)-methanesulfonamide
- N-(2,6-dimethylphenyl)-methane-sulfonamide
-
- Inchi： 1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3
- InChI Key： CLMPXVSJALKBTQ-UHFFFAOYSA-N
- SMILES： S(C)(NC1C(C)=CC=CC=1C)(=O)=O
Computed Properties
- Exact Mass: 199.06679
- Monoisotopic Mass: 199.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 1.6
- Topological Polar Surface Area: 54.6?2
Experimental Properties
- PSA: 46.17
Methanesulfonamide, N-(2,6-dimethylphenyl)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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