5-(3-Ethoxy-PH)-4-(((5-ME-2-thienyl)methylene)amino)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
613249-80-2- Standard SMILES
CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C)s2)c1- InChIKey
ZNQXFEYBYGYMTP-LICLKQGHSA-N- Molecular formula
- C16H16N4OS2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.07655349
Names & identifiers
- Preferred name
- 5-(3-Ethoxy-PH)-4-(((5-ME-2-thienyl)methylene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(3-ethoxyphenyl)-4-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L467421-1EA
- Molecular formula
- C16H16N4OS2
- Molecular weight
- 344.46
Names & synonyms
613249-80-2RefChem:5299005-(3-Ethoxy-PH)-4-(((5-ME-2-thienyl)methylene)amino)-4H-1,2,4-triazole-3-thiol656-969-03-(3-Ethoxyphenyl)-4-(((5-methylthiophen-2-yl)methylene)amino)-1H-1,2,4-triazole-5(4H)-thioneSTK588908AKOS002179664AKOS005511420ST500658604-[(1E)-2-(5-methyl(2-thienyl))-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazole- 3-thiol(E)-5-(3-ethoxyphenyl)-4-(((5-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol5-(3-ethoxyphenyl)-4-{[(E)-(5-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Show more names
SALOR-INT L467421-1EA3H-1,2,4-Triazole-3-thione, 5-(3-ethoxyphenyl)-2,4-dihydro-4-[[(5-methyl-2-thienyl)methylene]amino]-
5-(3-ethoxyphenyl)-4-{[(E)-(5-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
613249-80-2- PubChem CID
- 6880352
- EC Number
- 656-969-0
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Boiling point
- 482.4 · 482.4±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H413-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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, P273, 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
- H302-H319-H413-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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