Cas no 36915-02-3 (Octanoic acid, 6,8-dimercapto-, sodium salt (1:1))
36915-02-3 structure
Product Name:Octanoic acid, 6,8-dimercapto-, sodium salt (1:1)
CAS No:36915-02-3
MF:C8H15NaO2S2
MW:230.323271036148
CID:323488
PubChem ID:23665009
Update Time:2025-04-19
Octanoic acid, 6,8-dimercapto-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 6,8-dimercapto-, sodium salt (1:1)
- sodium,6,8-bis(sulfanyl)octanoate
- SCHEMBL718014
- sodium dihydrolipoate
- 36915-02-3
- DTXSID20958115
- Sodium 6,8-bis(sulfanyl)octanoate
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- Inchi: 1S/C8H16O2S2.Na/c9-8(10)4-2-1-3-7(12)5-6-11;/h7,11-12H,1-6H2,(H,9,10);/q;+1/p-1
- InChI Key: NKWZDUQCHVQLPU-UHFFFAOYSA-M
- SMILES: SC(CCS)CCCCC(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 230.04125
- Monoisotopic Mass: 230.041116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 133
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.1
Experimental Properties
- Boiling Point: 360.8°C at 760 mmHg
- Flash Point: 172°C
- PSA: 40.13
Octanoic acid, 6,8-dimercapto-, sodium salt (1:1) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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