Cas no 23730-24-7 (Benzenesulfinic acid,4-methyl-, cyclohexyl ester)
23730-24-7 structure
Product Name:Benzenesulfinic acid,4-methyl-, cyclohexyl ester
CAS No:23730-24-7
MF:C13H18O2S
MW:238.345822811127
CID:284987
PubChem ID:289143
Update Time:2025-04-19
Benzenesulfinic acid,4-methyl-, cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfinic acid,4-methyl-, cyclohexyl ester
- cyclohexyl 4-methylbenzenesulfinate
- AC1L6B17
- AC1Q6YPO
- AG-J-41591
- AR-1I3084
- CTK4F2127
- cyclohexyl p-toluenesulfinate
- cyclohexyl p-toluenesulfonate
- cyclohexyl p-toluensulfonate
- NSC150800
- p-Toluolsulfinsaeure-cyclohexylester
- SCHEMBL19380327
- NSC-150800
- 23730-24-7
- DTXSID60302390
-
- Inchi: 1S/C13H18O2S/c1-11-7-9-13(10-8-11)16(14)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
- InChI Key: VKFPIMGZISHRBX-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(=O)OC1CCCCC1
Computed Properties
- Exact Mass: 238.10284
- Monoisotopic Mass: 238.103
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 228
- 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: 3.6
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- Density: 1.17
- Boiling Point: 366.9°C at 760 mmHg
- Flash Point: 175.7°C
- Refractive Index: 1.58
- PSA: 26.3
- LogP: 4.23260
Benzenesulfinic acid,4-methyl-, cyclohexyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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