3-Ethyl-6-fluoro-2(3H)-benzothiazolon-5-yl isocyanate
Basic information
- Standard SMILES
CCn1c(=O)sc2cc(F)c(N=C=O)cc21- InChIKey
MYCDCDCKJXPBEK-UHFFFAOYSA-N- Molecular formula
- C10H7FN2O2S
- Average molar mass
- 238.24 g/mol
Names & identifiers
- Preferred name
- 3-Ethyl-6-fluoro-2(3H)-benzothiazolon-5-yl isocyanate
- IUPAC
- 3-ethyl-6-fluoro-5-isocyanato-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL9837669MYCDCDCKJXPBEK-UHFFFAOYSA-N3-Ethyl-6-fluoro-2(3H)-benzothiazolon-5-yl isocyanate
Database identifiers
- PubChem CID
- 14014236
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
4 records
Compound notes
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