4,7-Benzothiazoledione, 6-[(4-fluorophenyl)thio]-2,5-dimethyl-
Basic information
- CAS
650635-71-5- Standard SMILES
CC1=C(Sc2ccc(F)cc2)C(=O)c2sc(C)nc2C1=O- InChIKey
YTOLJJPXUHPIEN-UHFFFAOYSA-N- Molecular formula
- C15H10FNO2S2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.01369907
Names & identifiers
- Preferred name
- 4,7-Benzothiazoledione, 6-[(4-fluorophenyl)thio]-2,5-dimethyl-
- IUPAC
- 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Names & synonyms
650635-71-54,7-Benzothiazoledione, 6-[(4-fluorophenyl)thio]-2,5-dimethyl-6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-1,3-benzothiazole-4,7-dioneDTXSID103335386-[S-(4-Fluorophenyl)thio]-2,5-dimethyl-4,7-dioxobenzothiazole6-[(4-FLUOROPHENYL)SULFANYL]-2,5-DIMETHYL-1,3-BENZOTHIAZOLE-4,7-DIONE
Database identifiers
- CAS
650635-71-5- PubChem CID
- 511622
- DTXSID
DTXSID10333538
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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