Basic information
- CAS
1558-97-0- Standard SMILES
CCOC(=O)C(CCSc1ccccc1)C(=O)OCC- InChIKey
XNJMBDCTYAVRKZ-UHFFFAOYSA-N- Molecular formula
- C15H20O4S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.10823029
Names & identifiers
- Preferred name
- Diethyl [2-(phenylthio)ethyl]malonate
- IUPAC
- diethyl 2-(2-phenylsulfanylethyl)propanedioate
- English name
- diethyl [2-(phenylthio)ethyl]malonate
- Molecular formula
- C15H20O4S
- Molecular weight
- 296.38
Names & synonyms
1558-97-0DIETHYL [2-(PHENYLTHIO)ETHYL]MALONATEdiethyl 2-(2-phenylsulfanylethyl)propanedioateDiethyl (2-(phenylthio)ethyl)malonateEINECS 216-320-0SCHEMBL25933057DTXSID10165972XNJMBDCTYAVRKZ-UHFFFAOYSA-NAKOS017556621diethyl 2-[2-(phenylsulfanyl)ethyl]malonateNS00025064Diethyl [2-(phenylsulfanyl)ethyl]propanedioate
Show more names
2-[2-(Phenylthio)ethyl]propanedioic acid diethyl esterPropanedioic acid, 2-[2-(phenylthio)ethyl]-, 1,3-diethyl ester
Database identifiers
- CAS
1558-97-0- PubChem CID
- 73789
- DTXSID
DTXSID10165972- EC Number
- 216-320-0
- Nikkaji
- J206.786B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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