Cas no 45163-99-3 (Acetic acid,2-mercapto-, decyl ester)
45163-99-3 structure
Product Name:Acetic acid,2-mercapto-, decyl ester
CAS No:45163-99-3
MF:C12H24O2S
MW:232.382762908936
CID:332118
PubChem ID:170755
Update Time:2025-04-19
Acetic acid,2-mercapto-, decyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-mercapto-, decyl ester
- decyl 2-sulfanylacetate
- N-DECYL THIOGLYCOLATE
- decyl 2-mercaptoacetate
- Decyl mercaptoacetate
- Acetic acid, mercapto-, decyl ester
- Acetic acid, 2-mercapto-, decyl ester
- DTXSID3068467
- NS00031492
- AKOS024334278
- SCHEMBL1405363
- EINECS 256-198-6
- 45163-99-3
-
- Inchi： 1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-14-12(13)11-15/h15H,2-11H2,1H3
- InChI Key： LMDIIDPLWVGXKM-UHFFFAOYSA-N
- SMILES： SCC(=O)OCCCCCCCCCC
Computed Properties
- Exact Mass: 232.15
- Monoisotopic Mass: 232.15
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 149
- 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: 4.8
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- Density: 0.951
- Boiling Point: 310.9°Cat760mmHg
- Flash Point: 172.8°C
- Refractive Index: 1.463
Acetic acid,2-mercapto-, decyl ester Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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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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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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