Cas no 21991-08-2 (Thiophene,2-[(2,4,6-trimethylphenyl)sulfonyl]-)
![Thiophene,2-[(2,4,6-trimethylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/22000/21991-08-2x500.png)
21991-08-2 structure
Product Name:Thiophene,2-[(2,4,6-trimethylphenyl)sulfonyl]-
CAS No:21991-08-2
MF:C13H14O2S2
MW:266.379061222076
CID:284190
PubChem ID:345623
Update Time:2025-04-19
Thiophene,2-[(2,4,6-trimethylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene,2-[(2,4,6-trimethylphenyl)sulfonyl]-
- 2-(2,4,6-trimethyl-benzenesulfonyl)-thiophene
- 2-[(2,4,6-trimethylphenyl)sulfonyl]thiophene
- 2-Mesitylsulfonylthiophen
- AC1L836E
- NSC403333
- STK335826
- 21991-08-2
- DTXSID00323201
- NSC-403333
-
- Inchi： 1S/C13H14O2S2/c1-9-7-10(2)13(11(3)8-9)17(14,15)12-5-4-6-16-12/h4-8H,1-3H3
- InChI Key： XMALHJZMBNKGMM-UHFFFAOYSA-N
- SMILES： S(C1=CC=CS1)(C1C(C)=CC(C)=CC=1C)(=O)=O
Computed Properties
- Exact Mass: 266.04362
- Monoisotopic Mass: 266.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 3.8
- Topological Polar Surface Area: 70.8?2
Experimental Properties
- Density: 1.232
- Boiling Point: 425.1°C at 760 mmHg
- Flash Point: 210.9°C
- Refractive Index: 1.583
- PSA: 34.14
Thiophene,2-[(2,4,6-trimethylphenyl)sulfonyl]- Related Literature
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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