5-(Diethylamino)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione
Basic information
- CAS
674291-16-8- Standard SMILES
CCN(CC)c1n[nH]c(=S)n1-c1ccccc1- InChIKey
KAEYMAAKOCCZFO-UHFFFAOYSA-N- Molecular formula
- C12H16N4S
- Average molar mass
- 248.35 g/mol
- Monoisotopic mass
- 248.1095677
Names & identifiers
- Preferred name
- 5-(Diethylamino)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione
- IUPAC
- 3-(diethylamino)-4-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
DTXSID8011707835-(Diethylamino)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thioneAKOS005895948674291-16-85-(Diethylamino)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
674291-16-8- PubChem CID
- 43424331
- DTXSID
DTXSID801170783
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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