4,5-bis(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
54543-38-3- Standard SMILES
Fc1ccc(-c2n[nH]c(=S)n2-c2ccc(F)cc2)cc1- InChIKey
ATGAVTDHMVBXRF-UHFFFAOYSA-N- Molecular formula
- C14H9F2N3S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.0485248
Names & identifiers
- Preferred name
- 4,5-bis(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3,4-bis(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
- English name
- 4,5-Bis(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
- Molecular formula
- C14H9F2N3S
- Molecular weight
- 289.3
Names & synonyms
54543-38-34,5-bis(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol3,4-bis(4-fluorophenyl)-1H-1,2,4-triazole-5-thionebis(4-fluorophenyl)-4H-1,2,4-triazole-3-thiolDTXSID60368719AKOS005198594CCG-318793CS-0356019EN300-07815Z562769674,5-Bis(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 4,5-bis(4-fluorophenyl)-2,4-dihydro-
Database identifiers
- CAS
54543-38-3- PubChem CID
- 2452194
- DTXSID
DTXSID60368719
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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