Basic information
- CAS
352329-58-9- Standard SMILES
COc1ccc(/C=N/n2c(-c3ccccc3Cl)n[nH]c2=S)c(OC)c1- InChIKey
YBFFQJGRILJJBT-VXLYETTFSA-N- Molecular formula
- C17H15ClN4O2S
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.0604246
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)-4-((2,4-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(2-chlorophenyl)-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L228702-1EA
- Molecular formula
- C17H15ClN4O2S
- Molecular weight
- 374.84
Names & synonyms
352329-58-95-(2-Chlorophenyl)-4-((2,4-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiolRefChem:529380648-760-83-(2-chlorophenyl)-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thioneSTK764864STK852769AKOS001747644AKOS005630064ST041543AG-205/14672030(E)-5-(2-chlorophenyl)-4-((2,4-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Show more names
SALOR-INT L228702-1EA3H-1,2,4-Triazole-3-thione, 5-(2-chlorophenyl)-4-[[(2,4-dimethoxyphenyl)methylene]amino]-2,4-dihydro-
4-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]-5-(2-chlorophenyl)-1,2,4-triazole- 3-thiol5-(2-chlorophenyl)-4-[(2,4-dimethoxybenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide5-(2-chlorophenyl)-4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione5-(2-chlorophenyl)-4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 545
Physicochemical properties
- Boiling point
- 509.5 · 509.5±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 7.74 · 7.74±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- 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
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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