Cas no 88525-39-7 (Pentanethioic acid, S-[4-(methylthio)butyl] ester)
![Pentanethioic acid, S-[4-(methylthio)butyl] ester structure](https://ossimg.kuujia.com/scimg/89000/88525-39-7x500.png)
88525-39-7 structure
Product Name:Pentanethioic acid, S-[4-(methylthio)butyl] ester
CAS No:88525-39-7
MF:C10H20OS2
MW:220.39520072937
CID:629755
PubChem ID:13237659
Update Time:2025-04-19
Pentanethioic acid, S-[4-(methylthio)butyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanethioic acid, S-[4-(methylthio)butyl] ester
- S-(4-methylsulfanylbutyl) pentanethioate
- S-[4-(Methylsulfanyl)butyl] pentanethioate
- DTXSID20531003
- 88525-39-7
-
- Inchi： 1S/C10H20OS2/c1-3-4-7-10(11)13-9-6-5-8-12-2/h3-9H2,1-2H3
- InChI Key： CIFNYIOGSOETJJ-UHFFFAOYSA-N
- SMILES： S(C(CCCC)=O)CCCCSC
Computed Properties
- Exact Mass: 220.09555760g/mol
- Monoisotopic Mass: 220.09555760g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 126
- 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: 3.4
- Topological Polar Surface Area: 67.7?2
Pentanethioic acid, S-[4-(methylthio)butyl] ester Related Literature
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
88525-39-7 (Pentanethioic acid, S-[4-(methylthio)butyl] ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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