Cas no 7252-60-0 (2-octylsulfanylacetic Acid)
2-octylsulfanylacetic Acid structure
Product Name:2-octylsulfanylacetic Acid
CAS No:7252-60-0
MF:C10H20O2S
MW:204.329602241516
CID:1756053
PubChem ID:248830
Update Time:2025-04-21
2-octylsulfanylacetic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-octylsulfanylacetic Acid
- S-Octyl-thioglykolsaeure
- AC1Q2VX2
- 2-n-octyl malonic acid
- octylmercapto-acetic acid
- SBB057492
- octylmalonic acid
- AC1L20R5
- octylthioglycolic acid
- Propanedioic acid, octyl-
- Propanedioic acid,2-octyl-
- octyl-propanedioic acid
- Octylmercapto-essigsaeure
- AG-H-03354
- n-octylthioacetic acid
- Octyl-malonsaeure
- CTK5E2419
- octylthioacetic acid
- nonane dicarboxylic acid
- n-Octylmalonic acid
- 2-(Octylthio)acetic acid
- Propanedioic acid,2-octyl
- Propanedioic acid,octyl
- AKOS005606518
- NCGC00340299-01
- DTXSID70917050
- NSC-66312
- STK695243
- 7252-60-0
- SCHEMBL939761
- (octylsulfanyl)acetic acid
- octylsulphanylacetic acid
- NSC66312
- 2-(octylsulfanyl)acetic acid
- AB01332862-02
-
- Inchi： 1S/C10H20O2S/c1-2-3-4-5-6-7-8-13-9-10(11)12/h2-9H2,1H3,(H,11,12)
- InChI Key： ZAUNEXPULNQGCU-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)CCCCCCCC
Computed Properties
- Exact Mass: 204.11800
- Monoisotopic Mass: 204.11840105g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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: 3.9
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- Density: 1.010±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 35.5 oC
- Solubility: Very slightly soluble (0.35 g/l) (25 o C),
- PSA: 62.60000
- LogP: 3.16470
2-octylsulfanylacetic Acid Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
-
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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