Dimethyl (1,3-dithiepan-2-ylidene)propanedioate
Basic information
- CAS
62280-79-9- Standard SMILES
COC(=O)C(C(=O)OC)=C1SCCCCS1- InChIKey
UPRUMYQKRKLRCT-UHFFFAOYSA-N- Molecular formula
- C10H14O4S2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.03335127
Names & identifiers
- Preferred name
- Dimethyl (1,3-dithiepan-2-ylidene)propanedioate
- IUPAC
- dimethyl 2-(1,3-dithiepan-2-ylidene)propanedioate
Names & synonyms
62280-79-9Dimethyl (1,3-dithiepan-2-ylidene)propanedioateDTXSID10574363
Database identifiers
- CAS
62280-79-9- PubChem CID
- 15565641
- DTXSID
DTXSID10574363
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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