Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
Basic information
- CAS
38293-65-1- Standard SMILES
COC(=O)CSCC(C)C(=O)OC- InChIKey
KZKWDTDIHGAIKU-UHFFFAOYSA-N- Molecular formula
- C8H14O4S
- Average molar mass
- 206.26 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
- IUPAC
- methyl 3-(2-methoxy-2-oxoethyl)sulfanyl-2-methylpropanoate
- English name
- methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
- Molecular formula
- C8H14O4S
- Molecular weight
- 206.26
Names & synonyms
38293-65-1methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoatemethyl 3-((2-methoxy-2-oxoethyl)thio)-2-methylpropanoateSCHEMBL7026696AKOS009029408EN300-182837G53325methyl 3-(2-methoxy-2-oxoethyl)sulfanyl-2-methylpropanoatemethyl3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoateArticaine-007Propanoic acid, 3-[(2-methoxy-2-oxoethyl)thio]-2-methyl-, methyl ester
Database identifiers
- CAS
38293-65-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 271.1 · 271.1±25.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
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Compound notes
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