Cas no 7380-58-7 (Acetic acid,2-mercapto-, 2-hydroxyethyl ester)
7380-58-7 structure
Product Name:Acetic acid,2-mercapto-, 2-hydroxyethyl ester
Acetic acid,2-mercapto-, 2-hydroxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-mercapto-, 2-hydroxyethyl ester
- 2-hydroxyethyl 2-sulfanylacetate
- 2-hydroxyethyl mercaptoacetate
- 2-hydroxyethyl sulfanylacetate
- DTXSID00994778
- SCHEMBL110270
- AKOS006272041
- 7380-58-7
- EINECS 230-948-2
- NS00047656
-
- Inchi： 1S/C4H8O3S/c5-1-2-7-4(6)3-8/h5,8H,1-3H2
- InChI Key： QKZQKNCNSNZRFA-UHFFFAOYSA-N
- SMILES： SCC(=O)OCCO
Computed Properties
- Exact Mass: 136.01944
- Monoisotopic Mass: 136.01941529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 73.7
- 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: 47.5?2
Experimental Properties
- PSA: 46.53
Acetic acid,2-mercapto-, 2-hydroxyethyl ester Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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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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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
7380-58-7 (Acetic acid,2-mercapto-, 2-hydroxyethyl ester) Related Products
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