6-Fluorobenzo[D]isothiazole
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Basic information
- CAS
139037-00-6- Standard SMILES
Fc1ccc2cnsc2c1- InChIKey
LKJSBTYBZDVCFC-UHFFFAOYSA-N- Molecular formula
- C7H4FNS
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.00484847
Names & identifiers
- Preferred name
- 6-Fluorobenzo[D]isothiazole
- IUPAC
- 6-fluoro-1,2-benzothiazole
- English name
- 1,2-Benzisothiazole,6-fluoro-(9CI)
- Molecular formula
- C7H4FNS
- Molecular weight
- 153.18
Names & synonyms
6-FLUOROBENZO[D]ISOTHIAZOLE139037-00-66-FLUORO-1,2-BENZOTHIAZOLE1,2-Benzisothiazole,6-fluoro-(9CI)SCHEMBL207460SCHEMBL88052511,2-Benzisothiazole, 6-fluoro-
Database identifiers
- CAS
139037-00-6- PubChem CID
- 21757035
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 152.1 · 152.1±22.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.38(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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