Basic information
- CAS
539811-32-0- Standard SMILES
Cc1ccc(SCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2-c2cccc(C)c2)cc1- InChIKey
IEOCLOPMJRHAOB-UHFFFAOYSA-N- Molecular formula
- C26H23F3N4OS2
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.1265382
Names & identifiers
- Preferred name
- 2-((4-(3-Methylphenyl)-5-(((4-methylphenyl)sulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-(trifluoromethyl)phenyl)acetamide
- IUPAC
- 2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
- English name
- SALOR-INT L444944-1EA
- Molecular formula
- C26H23F3N4OS2
- Molecular weight
- 528.61
Names & synonyms
539811-32-02-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide2-((4-(3-Methylphenyl)-5-(((4-methylphenyl)sulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-(trifluoromethyl)phenyl)acetamideRefChem:448459644-611-62-((4-(m-Tolyl)-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamideAKOS016366423SALOR-INT L444944-1EA2-[(4-(3-METHYLPHENYL)-5-([(4-METHYLPHENYL)SULFANYL]METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Database identifiers
- CAS
539811-32-0- PubChem CID
- 3695553
- EC Number
- 644-611-6
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 707
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H301-H413-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H301-H413-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
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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