Cas no 119152-81-7 (Ethanethioic acid,2-(methylthio)-, S-ethyl ester)
119152-81-7 structure
Product Name:Ethanethioic acid,2-(methylthio)-, S-ethyl ester
CAS No:119152-81-7
MF:C5H10OS2
MW:150.262299060822
CID:213179
PubChem ID:145537
Update Time:2025-04-19
Ethanethioic acid,2-(methylthio)-, S-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid,2-(methylthio)-, S-ethyl ester
- 1-ethylsulfanyl-2-methylsulfanyl-ethanone
- S-ethyl 2-methylsulfanylethanethioate
- Ethanethioic acid, (methylthio)-, S-ethyl ester
- S-ethyl (methylsulfanyl)ethanethioate
- Ethanethioic acid, (methylthio)-s-ethyl ester
- DTXSID50152326
- 119152-81-7
-
- Inchi： 1S/C5H10OS2/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
- InChI Key： SQROSXWNNSGURE-UHFFFAOYSA-N
- SMILES： S(C(CSC)=O)CC
Computed Properties
- Exact Mass: 150.0174
- Monoisotopic Mass: 150.01730729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 72.8
- 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: 1.7
- Topological Polar Surface Area: 67.7?2
Experimental Properties
- PSA: 17.07
Ethanethioic acid,2-(methylthio)-, S-ethyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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