Basic information
- Standard SMILES
CCOC(Cn1c(Cc2ccccc2)n[nH]c1=S)OCC- InChIKey
DJTHSRALXGPFIO-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2S
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 3-benzyl-4-(2,2-diethoxyethyl)-4H-1,2,4-triazole-5-thione
- IUPAC
- 3-benzyl-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione
Names & synonyms
SCHEMBL11548732DJTHSRALXGPFIO-UHFFFAOYSA-N3-benzyl-4-(2,2-diethoxyethyl)-4H-1,2,4-triazole-5-thione
Database identifiers
- PubChem CID
- 21323331
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
4 records
Compound notes
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