Cas no 61688-59-3 (Pentanedioic acid, dimercapto-)
61688-59-3 structure
Product Name:Pentanedioic acid, dimercapto-
CAS No:61688-59-3
MF:C5H8O4S2
MW:196.244619369507
CID:469995
PubChem ID:54435544
Update Time:2025-04-19
Pentanedioic acid, dimercapto- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, dimercapto-
- 2,2-bis(sulfanyl)pentanedioic acid
- DTXSID20711303
- 61688-59-3
-
- Inchi： 1S/C5H8O4S2/c6-3(7)1-2-5(10,11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)
- InChI Key： WKLWBVHSBHPPBQ-UHFFFAOYSA-N
- SMILES： SC(C(=O)O)(CCC(=O)O)S
Computed Properties
- Exact Mass: 195.98644
- Monoisotopic Mass: 195.98640108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 177
- 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: 0.2
- Topological Polar Surface Area: 76.6?2
Experimental Properties
- PSA: 74.6
Pentanedioic acid, dimercapto- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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