5-(2-fluorophenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
743444-27-1- Standard SMILES
Fc1ccccc1OCc1n[nH]c(=S)n1-c1ccccc1- InChIKey
GJWDTLRKWGLMBS-UHFFFAOYSA-N- Molecular formula
- C15H12FN3OS
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.06851135
Names & identifiers
- Preferred name
- 5-(2-fluorophenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-[(2-fluorophenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
743444-27-15-(2-fluorophenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol5-[(2-fluorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol3-[(2-fluorophenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thioneDTXSID901143525HMS1787H07AKOS005198777EN300-08293Z562767125-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione5-[(2-Fluorophenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
743444-27-1- PubChem CID
- 2113252
- DTXSID
DTXSID901143525
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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