Basic information
- Standard SMILES
COc1cc(N=C=S)ccc1-c1cnnc(C)c1- InChIKey
QPULLDKHCJSLGX-UHFFFAOYSA-N- Molecular formula
- C13H11N3OS
- Average molar mass
- 257.31 g/mol
Names & identifiers
- Preferred name
- 5-(4-Isothiocyanato-2-methoxyphenyl)-3-methylpyridazine
- IUPAC
- 5-(4-isothiocyanato-2-methoxyphenyl)-3-methylpyridazine
Names & synonyms
SCHEMBL962710QPULLDKHCJSLGX-UHFFFAOYSA-N5-(4-isothiocyanato-2-methoxyphenyl)-3-methylpyridazine
Database identifiers
- PubChem CID
- 86649909
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
3 records
Compound notes
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