Basic information
- Standard SMILES
CCCC=CCOc1nsnc1-c1cccnc1- InChIKey
ZOANUMDDLFJOQS-UHFFFAOYSA-N- Molecular formula
- C13H15N3OS
- Average molar mass
- 261.34 g/mol
- Monoisotopic mass
- 261.09358328
Names & identifiers
- Preferred name
- 3-Hex-2-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
- IUPAC
- 3-hex-2-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
Names & synonyms
SCHEMBL7610562
Database identifiers
- PubChem CID
- 54557236
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
4 records
Compound notes
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