5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
676589-26-7- Standard SMILES
CC(=C/c1ccco1)/C=N/n1c(-c2ccc(F)cc2)n[nH]c1=S- InChIKey
SCWINNPUTGVCOJ-GWNMMOMOSA-N- Molecular formula
- C16H13FN4OS
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.07941039
Names & identifiers
- Preferred name
- 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(4-fluorophenyl)-4-[(E)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L405906-1EA
- Molecular formula
- C16H13FN4OS
- Molecular weight
- 328.37
Names & synonyms
676589-26-75-(4-F-PH)-4-((3-(2-FURYL)-2-ME-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOLRefChem:530333643-256-4AKOS024320246ST504231024-((3Z,1E)-4-(2-furyl)-3-methyl-1-azabuta-1,3-dienyl)-5-(4-fluorophenyl)-1,2,4 -triazole-3-thiol5-(4-fluorophenyl)-4-((E)-((Z)-3-(furan-2-yl)-2-methylallylidene)amino)-4H-1,2,4-triazole-3-thiolSALOR-INT L405906-1EA3H-1,2,4-Triazole-3-thione, 5-(4-fluorophenyl)-4-[[3-(2-furanyl)-2-methyl-2-propen-1-ylidene]amino]-2,4-dihydro-
Database identifiers
- CAS
676589-26-7- PubChem CID
- 6859151
- EC Number
- 643-256-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 427.3 · 427.3±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.75 · 7.75±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- 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
- H319-H335-H315
- Precautionary statements
- 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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