Cas no 106146-19-4 (Pentanedioic acid,2-(mercaptomethyl)-)
106146-19-4 structure
Product Name:Pentanedioic acid,2-(mercaptomethyl)-
CAS No:106146-19-4
MF:C6H10O4S
MW:178.206201076508
CID:213497
PubChem ID:129558
Update Time:2025-04-19
Pentanedioic acid,2-(mercaptomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid,2-(mercaptomethyl)-
- 2-(sulfanylmethyl)pentanedioic acid
- 2-mercaptomethylglutaric acid
- 2-Mercaptomethyl-pentanedioic acid
- 2-Mmga
- AC1L2VT3
- ACMC-1BUG7
- CHEMBL60941
- CTK4A4424
- Glutaric acid, 2-mercaptomethyl-
- PD180510
- 106146-19-4
- LDFDXRPEWZHIML-UHFFFAOYSA-N
- BDBM50127614
- NSC-613827
- 2-mer-captomethylglutaric acid
- DTXSID50909933
- NSC613827
- SCHEMBL1278279
-
- Inchi： 1S/C6H10O4S/c7-5(8)2-1-4(3-11)6(9)10/h4,11H,1-3H2,(H,7,8)(H,9,10)
- InChI Key： LDFDXRPEWZHIML-UHFFFAOYSA-N
- SMILES： SCC(C(=O)O)CCC(=O)O
Computed Properties
- Exact Mass: 178.03
- Monoisotopic Mass: 178.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 157
- 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: -0.1
- Topological Polar Surface Area: 75.6?2
Experimental Properties
- PSA: 74.6
Pentanedioic acid,2-(mercaptomethyl)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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