Cas no 60213-85-6 (4-[(Carboxymethyl)sulfanyl]butanoic acid)
![4-[(Carboxymethyl)sulfanyl]butanoic acid structure](https://ossimg.kuujia.com/scimg/60500/60213-85-6x500.png)
60213-85-6 structure
Product Name:4-[(Carboxymethyl)sulfanyl]butanoic acid
CAS No:60213-85-6
MF:C6H10O4S
MW:178.206201076508
CID:2834660
PubChem ID:54028344
Update Time:2025-04-21
4-[(Carboxymethyl)sulfanyl]butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-((carboxymethyl)thio)butanoic acid
- 4-[(Carboxymethyl)sulfanyl]butanoic acid
- LDUNOJQGMQTSIY-UHFFFAOYSA-N
- 60213-85-6
- SCHEMBL11651204
- DTXSID70708501
-
- Inchi： 1S/C6H10O4S/c7-5(8)2-1-3-11-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
- InChI Key： LDUNOJQGMQTSIY-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)CCCC(=O)O
Computed Properties
- Exact Mass: 178.02997997g/mol
- Monoisotopic Mass: 178.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 146
- 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: 0.3
- Topological Polar Surface Area: 99.9?2
4-[(Carboxymethyl)sulfanyl]butanoic acid Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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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
60213-85-6 (4-[(Carboxymethyl)sulfanyl]butanoic acid) Related Products
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