Cas no 28519-32-6 (Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester)
28519-32-6 structure
Product Name:Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester
CAS No:28519-32-6
MF:C13H20O2S2
MW:272.426701545715
CID:281055
PubChem ID:97459
Update Time:2025-04-19
Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester
- 1-hexylsulfanylsulfonyl-4-methylbenzene
- 4-Methylbenzolthiosulfonsaeure-S-hexylester
- AC1L3YK6
- AC1Q6YEP
- AR-1L4173
- BRN 2697259
- hexyl 4'-methylbenzenethiosulfonate
- n-Hexyl-p-toluolthiolsulfonat
- NSC124768
- p-Toluenesulfonic acid, thio-, S-hexyl ester
- s-hexyl 4-methylbenzenesulfonothioate
- S-Hexyl p-toluenethiosulfonate
- 28519-32-6
- DTXSID80182737
- NSC-124768
- p-Toluenesulfonic acid, S-hexyl ester
- NSC 124768
-
- Inchi： 1S/C13H20O2S2/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
- InChI Key： YCOCBHPNOONOQR-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)SCCCCCC
Computed Properties
- Exact Mass: 272.0906
- Monoisotopic Mass: 272.09047222g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 285
- 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: 4.3
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
- LogP: 5.07800
Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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