RefChem:316411 structure

RefChem:316411

ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate

Also Known As: Acetic acid, ((((diethoxyphosphinyl)thio)methyl)thio)-, ethyl ester|2-((Mercaptomethyl)thio)acetic acid ethyl ester S-ester with diethyl phosphorothioate|Acetic acid, 2-((mercaptomethyl)thio)-, ethyl ester, S-ester with diethyl phosphorothioate|ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate|[(Diethoxyphosphinoylthio)methylthio]acetic acid ethyl ester|ethyl 2-({[(diethoxyphosphoryl)sulfanyl]methyl}sulfanyl)acetate|Ethyl 4-ethoxy-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate

CAS: 68640-58-4
Molecular Formula C9H19O5PS2
Molecular Weight 302.04117 g/mol
LogP 1.7
Topological Polar Surface Area 112.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 11
Exact Mass 302.04117
Monoisotopic Mass 302.04117
Heavy Atoms 17
Complexity 252.0

Chemical Identifiers

CAS Number 68640-58-4
SMILES CCOC(=O)CSCSP(=O)(OCC)OCC
InChIKey XGZNJXJOSSUDID-UHFFFAOYSA-N

Product Overview

RefChem:316411 (CAS 68640-58-4), with molecular formula C9H19O5PS2 and molecular weight 302.04117 g/mol. IUPAC: ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate.

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