Cas no 1680-29-1 (Decanethioic acid, S-methyl ester)
1680-29-1 structure
Product Name:Decanethioic acid, S-methyl ester
CAS No:1680-29-1
MF:C11H22OS
MW:202.356782436371
CID:95680
PubChem ID:6429307
Update Time:2025-04-18
Decanethioic acid, S-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanethioic acid, S-methyl ester
- S-methyl decanethioate
- SCHEMBL13636538
- ZEBQAJHDEMWJOU-UHFFFAOYSA-N
- 1680-29-1
- S-methylthiodecanoate
- DTXSID80423910
-
- Inchi: 1S/C11H22OS/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
- InChI Key: ZEBQAJHDEMWJOU-UHFFFAOYSA-N
- SMILES: S(C)C(CCCCCCCCC)=O
Computed Properties
- Exact Mass: 202.13926
- Monoisotopic Mass: 202.13913649g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 123
- 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: 5
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 0.914
- Boiling Point: 266.8°C at 760 mmHg
- Flash Point: 99.6°C
- Refractive Index: 1.463
- PSA: 17.07
Decanethioic acid, S-methyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
1680-29-1 (Decanethioic acid, S-methyl ester) Related Products
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