Basic information
- Standard SMILES
CCCS(=O)c1nc[nH]n1- InChIKey
SWXPFWIVGGTDAQ-UHFFFAOYSA-N- Molecular formula
- C5H9N3OS
- Average molar mass
- 159.21 g/mol
- Monoisotopic mass
- 159.04663309
Names & identifiers
- Preferred name
- 3-Propylsulphinyl-1,2,4-triazole
- IUPAC
- 5-propylsulfinyl-1H-1,2,4-triazole
Names & synonyms
SWXPFWIVGGTDAQ-UHFFFAOYSA-N3-propylsulphinyl-1,2,4-triazole
Database identifiers
- PubChem CID
- 20355019
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Related reactions
6 records
Compound notes
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