Cas no 5402-68-6 ( )
structure
Product Name:
CAS No:5402-68-6
MF:C7H14O2S
MW:162.249861240387
CID:939492
PubChem ID:222484
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-ethylsulfanylpropanoate
- 5402-68-6
- ethyl S-ethyl-b-thiopropionate
- NSC-8532
- NSC8532
- DTXSID20278623
- CKNLDEDBQQHFAX-UHFFFAOYSA-N
- SCHEMBL15948648
-
-
- Inchi： 1S/C7H14O2S/c1-3-9-7(8)5-6-10-4-2/h3-6H2,1-2H3
- InChI Key： CKNLDEDBQQHFAX-UHFFFAOYSA-N
- SMILES： S(CC)CCC(=O)OCC
Computed Properties
- Exact Mass: 162.07152
- Monoisotopic Mass: 162.07145
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 93.6
- 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
- Topological Polar Surface Area: 51.6
- XLogP3: 1.4
Experimental Properties
- Density: 1.004
- Boiling Point: 220 oC
- Flash Point: 90 oC
- Refractive Index: 1.46
- PSA: 26.3
Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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