Cas no 85927-34-0 (Butanedioic acid, (octadecylthio)-)
85927-34-0 structure
Product Name:Butanedioic acid, (octadecylthio)-
CAS No:85927-34-0
MF:C22H42O4S
MW:402.631486415863
CID:662924
PubChem ID:487563
Update Time:2025-04-19
Butanedioic acid, (octadecylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (octadecylthio)-
- 2-octadecylsulfanylbutanedioic acid
- 85927-34-0
- SCHEMBL4239364
- DTXSID20333160
- Octadecane sulphonyl succinic acid
-
- Inchi： 1S/C22H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-20(22(25)26)19-21(23)24/h20H,2-19H2,1H3,(H,23,24)(H,25,26)
- InChI Key： SBPJFOAXWHLHNT-UHFFFAOYSA-N
- SMILES： S(C(C(=O)O)CC(=O)O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 402.28038099g/mol
- Monoisotopic Mass: 402.28038099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 21
- Complexity: 360
- 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: 8.8
- Topological Polar Surface Area: 99.9?2
Butanedioic acid, (octadecylthio)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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