Cas no 29657-33-8 (Acetic acid,(tert-dodecylthio)- (8CI,9CI))
29657-33-8 structure
Product Name:Acetic acid,(tert-dodecylthio)- (8CI,9CI)
CAS No:29657-33-8
MF:C14H28O2S
MW:260.435923576355
CID:272072
PubChem ID:122514
Update Time:2025-04-19
Acetic acid,(tert-dodecylthio)- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,(tert-dodecylthio)- (8CI,9CI)
- 2-(2,3,4,4,5,5-hexamethylhexan-2-ylsulfanyl)acetic acid
- (tert-Dodecylthio)acetic acid
- [(2,3,4,4,5,5-hexamethylhexan-2-yl)sulfanyl]acetic acid
- NS00051944
- 29657-33-8
- DTXSID20952118
- EINECS 249-756-5
-
- Inchi： 1S/C14H28O2S/c1-10(13(5,6)12(2,3)4)14(7,8)17-9-11(15)16/h10H,9H2,1-8H3,(H,15,16)
- InChI Key： LNRGMECDIPGOEV-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)C(C)(C)C(C)C(C)(C)C(C)(C)C
Computed Properties
- Exact Mass: 260.18100131g/mol
- Monoisotopic Mass: 260.18100131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 274
- 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
- XLogP3: 4.8
- Topological Polar Surface Area: 62.6?2
Acetic acid,(tert-dodecylthio)- (8CI,9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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