Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate

Substructure search Find similar structures

Basic information

CAS: 5331-07-7
Standard SMILES: CCOC(=O)CSCCC(=O)OC
InChIKey: YZACQYRKLKRPNX-UHFFFAOYSA-N
Molecular formula: C8H14O4S
Average molar mass: 206.26 g/mol
Monoisotopic mass: 206.0612801

Names & identifiers

Preferred name: Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
IUPAC: methyl 3-(2-ethoxy-2-oxoethyl)sulfanylpropanoate

Names & synonyms

5331-07-7methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoateNSC2240DTXSID50277402NSC-2240AKOS0089515883-[[(ETHOXYCARBONYL)METHYL]THIO]PROPIONIC ACID, METHYL ESTER

Database identifiers

CAS: 5331-07-7
PubChem CID: 220033
DTXSID: DTXSID50277402

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 77.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…