N-(2-Fluorophenyl)-2-methylthiopropionimidate methyl ester
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Basic information
- Standard SMILES
CSC(=Nc1ccccc1F)C(C)C- InChIKey
HOWPFOCAFQAXBV-UHFFFAOYSA-N- Molecular formula
- C11H14FNS
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.08309879
Names & identifiers
- Preferred name
- N-(2-Fluorophenyl)-2-methylthiopropionimidate methyl ester
- IUPAC
- methyl N-(2-fluorophenyl)-2-methylpropanimidothioate
Names & synonyms
SCHEMBL5831997HOWPFOCAFQAXBV-UHFFFAOYSA-NN-(2-Fluorophenyl)-2-methylthiopropionimidate methyl ester
Database identifiers
- PubChem CID
- 22019263
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
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Related reactions
2 records
Compound notes
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