4-Propoxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-YL]hydrazone
Basic information
- CAS
624725-17-3- Standard SMILES
CCCOc1ccc(/C=N/Nn2c(-c3ccc(OCC)cc3)n[nH]c2=S)cc1- InChIKey
YWYFNGNUFRQSJO-KGENOOAVSA-N- Molecular formula
- C20H23N5O2S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.15724617
Names & identifiers
- Preferred name
- 4-Propoxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-YL]hydrazone
- IUPAC
- 3-(4-ethoxyphenyl)-4-[(2E)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L418412-1EA
- Molecular formula
- C20H23N5O2S
- Molecular weight
- 397.5
Names & synonyms
624725-17-34-PROPOXYBENZALDEHYDE [3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]HYDRAZONE4-PROPOXYBENZALDEHYDE (3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)HYDRAZONERefChem:526560638-498-25-(4-Ethoxyphenyl)-4-(2-(4-propoxybenzylidene)hydrazinyl)-4H-1,2,4-triazole-3-thiolAKOS002270150ST501775494-{[(1E)-2-(4-propoxyphenyl)-1-azavinyl]amino}-5-(4-ethoxyphenyl)-1,2,4-triazo le-3-thiolSALOR-INT L418412-1EA
Database identifiers
- CAS
624725-17-3- PubChem CID
- 16448002
- EC Number
- 638-498-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 519.552 · 519.552±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.248 · 1.248±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.046 · 9.046±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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