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Basic information
- CAS
68869-43-2- Standard SMILES
S=c1[nH]nc(COc2ccc(-c3ccccc3)cc2)n1-c1ccccc1- InChIKey
YMTCAUNMUYRNKD-UHFFFAOYSA-N- Molecular formula
- C21H17N3OS
- Average molar mass
- 359.454 g/mol
- Monoisotopic mass
- 359.10923316
Names & identifiers
- Preferred name
- 5-{[([1,1'-Biphenyl]-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 5-{[([1,1'-Biphenyl]-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
- English name
- s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
- Molecular formula
- C21H17N3OS
- Molecular weight
- 359.44
Names & synonyms
s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-3H-1,2,4-Triazole-3-thione, 5-[([1,1'-biphenyl]-4-yloxy)methyl]-2,4-dihydro-4-phenyl-
Database identifiers
- CAS
68869-43-2- PubChem CID
- 1256243
- DTXSID
DTXSID40988570
Properties
Physicochemical properties
- Boiling point
- 520.1 · 520.1±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 4.88 · 4.88±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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