4-(((E)-(2,3-Dimethoxyphenyl)methylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
478255-67-3- Standard SMILES
COc1cccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c1OC- InChIKey
UNLNKEPMLPXRFR-YBFXNURJSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.115047
Names & identifiers
- Preferred name
- 4-(((E)-(2,3-Dimethoxyphenyl)methylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L230448-1EA
- Molecular formula
- C18H18N4O2S
- Molecular weight
- 354.43
Names & synonyms
4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol4-(((E)-(2,3-Dimethoxyphenyl)methylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiolRefChem:508659478255-67-3646-969-9STK571595AKOS002178935AKOS005497027ST50065716(E)-4-((2,3-dimethoxybenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl]-5-(3-methylphenyl)-1,2,4-triazole- 3-thiol4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
SALOR-INT L230448-1EA4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione4-([(E)-(2,3-DIMETHOXYPHENYL)METHYLIDENE]AMINO)-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL3H-1,2,4-Triazole-3-thione, 4-[[(2,3-dimethoxyphenyl)methylene]amino]-2,4-dihydro-5-(3-methylphenyl)-
Database identifiers
- CAS
478255-67-3- PubChem CID
- 9560201
- EC Number
- 646-969-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Boiling point
- 492.9 · 492.9±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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