Basic information
- CAS
89864-05-1- Standard SMILES
CCCCC(=O)c1cc(C(C)=C2SCCCS2)ccc1OC- InChIKey
HFDKPSADRHDXOB-UHFFFAOYSA-N- Molecular formula
- C18H24O2S2
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.12177235
Names & identifiers
- Preferred name
- 1-{5-[1-(1,3-Dithian-2-ylidene)ethyl]-2-methoxyphenyl}pentan-1-one
- IUPAC
- 1-[5-[1-(1,3-dithian-2-ylidene)ethyl]-2-methoxyphenyl]pentan-1-one
Names & synonyms
89864-05-1SCHEMBL10370259DTXSID605357421-{5-[1-(1,3-Dithian-2-ylidene)ethyl]-2-methoxyphenyl}pentan-1-one
Database identifiers
- CAS
89864-05-1- PubChem CID
- 13302011
- DTXSID
DTXSID60535742
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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