Basic information
- CAS
72844-59-8- Standard SMILES
CCOC(=O)CCCSCCCC(=O)OCC- InChIKey
FHMJFZINCAENND-UHFFFAOYSA-N- Molecular formula
- C12H22O4S
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.12388035
Names & identifiers
- Preferred name
- Diethyl 4,4'-sulfanediyldibutanoate
- IUPAC
- ethyl 4-(4-ethoxy-4-oxobutyl)sulfanylbutanoate
Names & synonyms
72844-59-8diethyl 4,4'-sulfanediyldibutanoateNSC144315SCHEMBL9109410DTXSID00301569NSC-144315DS-001230ethyl 4-(3-ethoxycarbonylpropylsulfanyl)butanoate
Database identifiers
- CAS
72844-59-8- PubChem CID
- 286338
- DTXSID
DTXSID00301569
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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