3H-1,2,4-Triazole-3-thione, 5-ethyl-4,5-dihydro-5-methyl-4-phenyl-
Basic information
- CAS
25688-01-1- Standard SMILES
CCC1(C)N=NC(=S)N1c1ccccc1- InChIKey
HHDKXSQMNOPKPA-UHFFFAOYSA-N- Molecular formula
- C11H13N3S
- Average molar mass
- 219.31 g/mol
- Monoisotopic mass
- 219.0830186
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 5-ethyl-4,5-dihydro-5-methyl-4-phenyl-
- IUPAC
- 5-ethyl-5-methyl-4-phenyl-1,2,4-triazole-3-thione
Names & synonyms
25688-01-1DTXSID403960103H-1,2,4-Triazole-3-thione, 5-ethyl-4,5-dihydro-5-methyl-4-phenyl-RefChem:283004DTXCID503468695-ethyl-5-methyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione5-ethyl-5-methyl-4-phenyl-4H-[1,2,4]triazole-3-thione
Database identifiers
- CAS
25688-01-1- PubChem CID
- 3757929
- DTXSID
DTXSID40396010
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…