1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-
Basic information
- CAS
106971-47-5- Standard SMILES
CC(=O)C(C(=O)c1ccc(O)cc1)=C1SC=CS1- InChIKey
RLBYFLHVXMRYDZ-UHFFFAOYSA-N- Molecular formula
- C13H10O3S2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.00713652
Names & identifiers
- Preferred name
- 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-
- IUPAC
- 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)butane-1,3-dione
Names & synonyms
1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-2-(1,3-Dithiol-2-ylidene)-1-(4-hydroxyphenyl)-1,3-butanedione106971-47-5DTXSID40147847RefChem:218171DTXCID8070338SCHEMBL96639452-(2H-1,3-Dithiol-2-ylidene)-1-(4-hydroxyphenyl)butane-1,3-dione
Database identifiers
- CAS
106971-47-5- PubChem CID
- 3065142
- DTXSID
DTXSID40147847
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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