Dipentyl (1,3-dithietan-2-ylidene)propanedioate
Basic information
- CAS
62280-76-6- Standard SMILES
CCCCCOC(=O)C(C(=O)OCCCCC)=C1SCS1- InChIKey
QUPNWZAQFUOLNO-UHFFFAOYSA-N- Molecular formula
- C15H24O4S2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.11160159
Names & identifiers
- Preferred name
- Dipentyl (1,3-dithietan-2-ylidene)propanedioate
- IUPAC
- dipentyl 2-(1,3-dithietan-2-ylidene)propanedioate
Names & synonyms
62280-76-6Dipentyl (1,3-dithietan-2-ylidene)propanedioateDTXSID30574360
Database identifiers
- CAS
62280-76-6- PubChem CID
- 15565637
- DTXSID
DTXSID30574360
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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