Cas no 22811-02-5 (Acetic acid,2-mercapto-, hexadecyl ester)
22811-02-5 structure
Product Name:Acetic acid,2-mercapto-, hexadecyl ester
CAS No:22811-02-5
MF:C18H36O2S
MW:316.542244911194
CID:268427
PubChem ID:89849
Update Time:2025-04-19
Acetic acid,2-mercapto-, hexadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-mercapto-, hexadecyl ester
- hexadecyl 2-sulfanylacetate
- Acetic acid, mercapto-, hexadecyl ester
- Hexadecyl mercaptoacetate
- hexadecyl sulfanylacetate
- SCHEMBL9835095
- ACETIC ACID, 2-MERCAPTO-, HEXADECYL ESTER
- cetyl thioglycolate
- UNII-0IAT30A3FG
- EINECS 245-238-8
- 22811-02-5
- DTXSID20177364
- Q27236824
- 0IAT30A3FG
- NS00027267
-
- Inchi： 1S/C18H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17-21/h21H,2-17H2,1H3
- InChI Key： WDRMFQRBFDVBPJ-UHFFFAOYSA-N
- SMILES： SCC(=O)OCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 316.24378
- Monoisotopic Mass: 316.243601
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 17
- Complexity: 219
- 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: 8.1
- Topological Polar Surface Area: 27.3
Experimental Properties
- Density: 0.922
- Boiling Point: 403.6°Cat760mmHg
- Flash Point: 249.1°C
- Refractive Index: 1.466
- PSA: 26.3
Acetic acid,2-mercapto-, hexadecyl ester Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
22811-02-5 (Acetic acid,2-mercapto-, hexadecyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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