1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-
Basic information
- CAS
100673-12-9- Standard SMILES
CC(C)CC(=O)C(C(=O)c1ccccc1)=C1SC=CS1- InChIKey
JBIQLHINADMORY-UHFFFAOYSA-N- Molecular formula
- C16H16O2S2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.0591721
Names & identifiers
- Preferred name
- 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-
- IUPAC
- 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenylhexane-1,3-dione
Names & synonyms
1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-2-(1,3-Dithiol-2-ylidene)-5-methyl-1-phenyl-1,3-hexanedione100673-12-9DTXSID40143440RefChem:219229DTXCID0065931SCHEMBL96654152-(2H-1,3-Dithiol-2-ylidene)-5-methyl-1-phenylhexane-1,3-dione
Database identifiers
- CAS
100673-12-9- PubChem CID
- 3063399
- DTXSID
DTXSID40143440
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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