Cas no 38564-39-5 (Acetic acid, bis(ethylthio)-, methyl ester)
38564-39-5 structure
Product Name:Acetic acid, bis(ethylthio)-, methyl ester
CAS No:38564-39-5
MF:C7H14O2S2
MW:194.314859867096
CID:1490171
PubChem ID:10899528
Update Time:2025-04-21
Acetic acid, bis(ethylthio)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, bis(ethylthio)-, methyl ester
- methyl 2,2-bis(ethylsulfanyl)acetate
- 38564-39-5
- acetic acid, 2,2-bis(ethylthio)-, methyl ester
- BTADPPRQZFQLLV-UHFFFAOYSA-N
- Bis-ethylsulfanyl-acetic acid methyl ester
- methyl bis(ethylsulfanyl)acetate
- SCHEMBL20299956
- DTXSID30447646
-
- Inchi： 1S/C7H14O2S2/c1-4-10-7(11-5-2)6(8)9-3/h7H,4-5H2,1-3H3
- InChI Key： BTADPPRQZFQLLV-UHFFFAOYSA-N
- SMILES： S(CC)C(C(=O)OC)SCC
Computed Properties
- Exact Mass: 194.04362
- Monoisotopic Mass: 194.04352203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 111
- 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: 2.3
- Topological Polar Surface Area: 76.9?2
Experimental Properties
- PSA: 26.3
Acetic acid, bis(ethylthio)-, methyl ester Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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