Butyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate
Basic information
- CAS
89594-28-5- Standard SMILES
CCCCOC(=O)C(C#N)=C1SC(O)C(O)S1- InChIKey
ODRQMBSIGZHORC-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.02860024
Names & identifiers
- Preferred name
- Butyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate
- IUPAC
- butyl 2-cyano-2-(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate
Names & synonyms
89594-28-5Butyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetateDTXSID00539062
Database identifiers
- CAS
89594-28-5- PubChem CID
- 13388161
- DTXSID
DTXSID00539062
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
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Related reactions
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Compound notes
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