2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
Basic information
- CAS
442672-36-8- Standard SMILES
C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1- InChIKey
HFJDFFXNAWHTFG-UHFFFAOYSA-N- Molecular formula
- C17H15FN4O2S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.08997507
Names & identifiers
- Preferred name
- 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
- IUPAC
- N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
442672-36-8RefChem:4487022-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide638-352-8N-(2-fluorophenyl)-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamideSTK696962AKOS002188472SR-01000540075SR-01000540075-12-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Database identifiers
- CAS
442672-36-8- PubChem CID
- 4386941
- EC Number
- 638-352-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
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%)
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Compound notes
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