Basic information
- Standard SMILES
Fc1cc(Cl)c2nc(Cl)sc2c1N=C=S- InChIKey
AKRXCLDHPSSZEZ-UHFFFAOYSA-N- Molecular formula
- C8HCl2FN2S2
- Average molar mass
- 279.1 g/mol
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-fluoro-7-isothiocyanatobenzothiazole
- IUPAC
- 2,4-dichloro-6-fluoro-7-isothiocyanato-1,3-benzothiazole
Names & synonyms
SCHEMBL9149540AKRXCLDHPSSZEZ-UHFFFAOYSA-N2,4-Dichloro-6-fluoro-7-isothiocyanatobenzothiazole
Database identifiers
- PubChem CID
- 19933464
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
Exact Mass277.8942239 Da
Molecular Weight279.1 g/mol
Monoisotopic Mass277.8942239 Da
Compound Is CanonicalizedYes
Related reactions
3 records
Compound notes
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