Basic information
- CAS
478256-06-3- Standard SMILES
Cc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1- InChIKey
KDDRXBIUDMUQCA-WOJGMQOQSA-N- Molecular formula
- C17H16N4S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.1095677
Names & identifiers
- Preferred name
- 4-((4-Methylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(3-methylphenyl)-4-[(E)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Names & synonyms
478256-06-34-((4-METHYLBENZYLIDENE)AMINO)-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOLRefChem:509547646-922-2STK584256AKOS002178937AKOS005507157ST500657484-((4-Methylbenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol(E)-4-((4-methylbenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(4-methylphenyl)-1-azavinyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thi ol5-(3-methylphenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
478256-06-3- PubChem CID
- 6859080
- EC Number
- 646-922-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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