Cas no 71436-87-8 (Dodecanoic acid,2-(butylthio)-)
71436-87-8 structure
Product Name:Dodecanoic acid,2-(butylthio)-
CAS No:71436-87-8
MF:C16H32O2S
MW:288.489084243774
CID:563768
PubChem ID:3018130
Update Time:2025-04-19
Dodecanoic acid,2-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,2-(butylthio)-
- 2-(butylthio)dodecanoic acid
- 2-butylsulfanyldodecanoic acid
- 2-(butylsulfanyl)dodecanoic acid
- DTXSID80991826
- NS00061750
- 71436-87-8
- EINECS 275-446-4
-
- Inchi： 1S/C16H32O2S/c1-3-5-7-8-9-10-11-12-13-15(16(17)18)19-14-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
- InChI Key： COPIFQGFBVOZOJ-UHFFFAOYSA-N
- SMILES： S(CCCC)C(C(=O)O)CCCCCCCCCC
Computed Properties
- Exact Mass: 288.21246
- Monoisotopic Mass: 288.21230143g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 14
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.8
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Dodecanoic acid,2-(butylthio)- Related Literature
-
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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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