Cas no 67859-54-5 (methyl 3-(hexylthio)propionate)
67859-54-5 structure
Product Name:methyl 3-(hexylthio)propionate
CAS No:67859-54-5
MF:C10H20O2S
MW:204.329602241516
CID:967389
PubChem ID:105828
Update Time:2025-04-19
methyl 3-(hexylthio)propionate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-(hexylthio)propionate
- methyl 3-hexylsulfanylpropanoate
- methyl 3-(hexylsulfanyl)propanoate
- Propanoic acid, 3-(hexylthio)-, methyl ester
- EINECS 267-401-2
- DTXSID7070715
- UNII-L3XVS4FHY6
- L3XVS4FHY6
- SCHEMBL8895243
- 67859-54-5
- 3-hexylsulfanyl-propionic acid methyl ester
- NS00036234
- WPTNLVDNPQJRAQ-UHFFFAOYSA-N
-
- Inchi： 1S/C10H20O2S/c1-3-4-5-6-8-13-9-7-10(11)12-2/h3-9H2,1-2H3
- InChI Key： WPTNLVDNPQJRAQ-UHFFFAOYSA-N
- SMILES： S(CCC(=O)OC)CCCCCC
Computed Properties
- Exact Mass: 204.1185
- Monoisotopic Mass: 204.11840105g/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
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 26.3
methyl 3-(hexylthio)propionate Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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