5-(2-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
23292-16-2- Standard SMILES
COc1ccccc1-c1n[nH]c(=S)n1-c1ccc(C)cc1- InChIKey
MYMIOSWHDQLVHY-UHFFFAOYSA-N- Molecular formula
- C16H15N3OS
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.09358328
Names & identifiers
- Preferred name
- 5-(2-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(2-methoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
- English name
- 5-(2-METHOXYPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C16H15N3OS
- Molecular weight
- 297.37
Names & synonyms
23292-16-25-(2-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol5-(2-Methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazole-3-thiol3-(2-methoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(4-methylphenyl)-5-(2-Methoxy-phenyl)-4-p-tolyl-4H-[1,2,4]triazole-3-thiol5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolOprea1_041935Oprea1_410644SCHEMBL930747SCHEMBL4626807DTXSID20357725
Show more names
3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-(2-Methoxyphenyl)-4-(4-Methylphenyl)-
MYMIOSWHDQLVHY-UHFFFAOYSA-NEBC-80074MFCD02228497SBB040310AKOS000268575SY132278CS-0221170ST50213500
Database identifiers
- CAS
23292-16-2- PubChem CID
- 865732
- DTXSID
DTXSID20357725
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…