Basic information
- CAS
573949-95-8- Standard SMILES
CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1- InChIKey
JDSTVXZKMYUQDJ-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.10414797
Names & identifiers
- Preferred name
- 4-Ethyl-3-(2-furyl)-5-((3-methoxybenzyl)thio)-4H-1,2,4-triazole
- IUPAC
- 4-ethyl-3-(furan-2-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
- English name
- SALOR-INT L466093-1EA
- Molecular formula
- C16H17N3O2S
- Molecular weight
- 315.39
Names & synonyms
573949-95-8RefChem:5227674-ethyl-3-(2-furyl)-5-((3-methoxybenzyl)thio)-4h-1,2,4-triazole657-697-54-Ethyl-3-(furan-2-yl)-5-((3-methoxybenzyl)thio)-4H-1,2,4-triazole4-ethyl-3-(furan-2-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazoleSMR000043517MLS000041118CHEMBL1449935HMS2418F06STL340647AKOS003899416
Show more names
SALOR-INT L466093-1EA4H-1,2,4-Triazole, 4-ethyl-3-(2-furanyl)-5-[[(3-methoxyphenyl)methyl]thio]-
ST512390704-ethyl-3-(2-furyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole4-ethyl-3-(furan-2-yl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole
Database identifiers
- CAS
573949-95-8- PubChem CID
- 662913
- ChEMBL
CHEMBL1449935- EC Number
- 657-697-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 507.3 · 507.3±60.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 1.12 · 1.12±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · 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
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-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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