Basic information
- Standard SMILES
COC(=O)c1cc(F)ccc1OC(=S)N(C)C- InChIKey
HDWGYYUNCMKEGK-UHFFFAOYSA-N- Molecular formula
- C11H12FNO3S
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.05219258
Names & identifiers
- Preferred name
- O-2-carbomethoxy-4-fluorophenyl dimethylthiocarbamate
- IUPAC
- methyl 2-(dimethylcarbamothioyloxy)-5-fluorobenzoate
Names & synonyms
SCHEMBL9857892HDWGYYUNCMKEGK-UHFFFAOYSA-NO-2-carbomethoxy-4-fluorophenyl dimethylthiocarbamate
Database identifiers
- PubChem CID
- 19985559
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
2 records
Compound notes
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