Dimethyl (1,3-dithietan-2-ylidene)propanedioate
Basic information
- CAS
50780-59-1- Standard SMILES
COC(=O)C(C(=O)OC)=C1SCS1- InChIKey
SNSLBVWZCZFHMG-UHFFFAOYSA-N- Molecular formula
- C7H8O4S2
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 219.98640108
Names & identifiers
- Preferred name
- Dimethyl (1,3-dithietan-2-ylidene)propanedioate
- IUPAC
- dimethyl 2-(1,3-dithietan-2-ylidene)propanedioate
Names & synonyms
50780-59-1Dimethyl (1,3-dithietan-2-ylidene)propanedioateDTXSID40574356
Database identifiers
- CAS
50780-59-1- PubChem CID
- 15565633
- DTXSID
DTXSID40574356
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
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Related reactions
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Compound notes
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