Basic information
- Standard SMILES
COc1ccc2nc(N=C=S)nn2c1- InChIKey
CMKGLMUSTXZJBU-UHFFFAOYSA-N- Molecular formula
- C8H6N4OS
- Average molar mass
- 206.23 g/mol
Names & identifiers
- Preferred name
- 2-Isothiocyanato-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
- IUPAC
- 2-isothiocyanato-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
Names & synonyms
2-isothiocyanato-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine1192813-28-7SCHEMBL557972CMKGLMUSTXZJBU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57476552
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Related reactions
6 records
Compound notes
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