Thiobisacetate ethyl ester

HCID 86604148
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Basic information

Standard SMILES
CCOC(=O)CSCC(=O)[O-]
InChIKey
VRBQPEMNFYBEJJ-UHFFFAOYSA-M
Molecular formula
C6H9O4S-
Average molar mass
177.2 g/mol
Monoisotopic mass
177.02215494

Names & identifiers

Preferred name
Thiobisacetate ethyl ester
IUPAC
2-(2-ethoxy-2-oxoethyl)sulfanylacetate

Names & synonyms

thiobisacetate ethyl ester2,2' thiobisacetate ethyl ester2,2'-thiobisacetate ethyl esterVRBQPEMNFYBEJJ-UHFFFAOYSA-M

Database identifiers

PubChem CID
86604148

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
91.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
11

Related reactions

2 records
New reaction record

Compound notes

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Thiobisacetate ethyl ester (HCID 86604148)｜Huagongshe