Cas no 80683-81-4 (Undecanoic acid,11-(methylthio)-)
80683-81-4 structure
Product Name:Undecanoic acid,11-(methylthio)-
CAS No:80683-81-4
MF:C12H24O2S
MW:232.382762908936
CID:731405
PubChem ID:348985
Update Time:2025-04-19
Undecanoic acid,11-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Undecanoic acid,11-(methylthio)-
- 11-methylsulfanylundecanoic acid
- 80683-81-4
- SCHEMBL9340793
- NSC408527
- AWOGYVKODMFDOG-UHFFFAOYSA-N
- NSC-408527
- 11-(methylthio)undecanoic acid
- 11-(methylthio)-undecanoic acid
- DTXSID10325074
- 12-thiatridecanoic acid
-
- Inchi： 1S/C12H24O2S/c1-15-11-9-7-5-3-2-4-6-8-10-12(13)14/h2-11H2,1H3,(H,13,14)
- InChI Key： AWOGYVKODMFDOG-UHFFFAOYSA-N
- SMILES： S(C)CCCCCCCCCCC(=O)O
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: 4.2
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- Density: 0.987
- Boiling Point: 360°C at 760 mmHg
- Flash Point: 171.5°C
- Refractive Index: 1.483
- PSA: 62.60000
- LogP: 3.94490
Undecanoic acid,11-(methylthio)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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