Basic information
- Standard SMILES
Cc1cccnc1Oc1ccc(N=C=S)cc1- InChIKey
CHFHATMYVRNCLL-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.05138412
Names & identifiers
- Preferred name
- 2-(4-Isothiocyanatophenoxy)-3-methylpyridine
- IUPAC
- 2-(4-isothiocyanatophenoxy)-3-methylpyridine
Names & synonyms
SCHEMBL2458832CHFHATMYVRNCLL-UHFFFAOYSA-N2-(4-isothiocyanatophenoxy)-3-methylpyridine
Database identifiers
- PubChem CID
- 59326937
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
5 records
Compound notes
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