Dibutyl (1,3-dithiepan-2-ylidene)propanedioate
Basic information
- CAS
62280-82-4- Standard SMILES
CCCCOC(=O)C(C(=O)OCCCC)=C1SCCCCS1- InChIKey
DXIWSFIJNHTRNU-UHFFFAOYSA-N- Molecular formula
- C16H26O4S2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.12725165
Names & identifiers
- Preferred name
- Dibutyl (1,3-dithiepan-2-ylidene)propanedioate
- IUPAC
- dibutyl 2-(1,3-dithiepan-2-ylidene)propanedioate
Names & synonyms
62280-82-4Dibutyl (1,3-dithiepan-2-ylidene)propanedioateDTXSID30574365
Database identifiers
- CAS
62280-82-4- PubChem CID
- 15565643
- DTXSID
DTXSID30574365
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
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Related reactions
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Compound notes
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