Basic information
- Standard SMILES
c1ncn(CCc2ccsc2)n1- InChIKey
SBLIJXCGSNHAMC-UHFFFAOYSA-N- Molecular formula
- C8H9N3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.05171847
Names & identifiers
- Preferred name
- 1-[2-(3-thienyl)ethyl]-1H-1,2,4-triazole
- IUPAC
- 1-(2-thiophen-3-ylethyl)-1,2,4-triazole
Names & synonyms
SCHEMBL8213244SBLIJXCGSNHAMC-UHFFFAOYSA-NAKOS0134045441-[2-(3-thienyl)ethyl]-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 23355035
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Related reactions
2 records
Compound notes
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