Basic information
- CAS
585558-97-0- Standard SMILES
Cc1ccccc1CSc1nnc(-c2ccccn2)n1N- InChIKey
IGKRFCFNSXWYKI-UHFFFAOYSA-N- Molecular formula
- C15H15N5S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.10481667
Names & identifiers
- Preferred name
- 3-((2-Methylbenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
- IUPAC
- 3-[(2-methylphenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
- English name
- SALOR-INT L405302-1EA
- Molecular formula
- C15H15N5S
- Molecular weight
- 297.38
Names & synonyms
585558-97-03-((2-METHYLBENZYL)THIO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YLAMINERefChem:488316643-376-73-((2-Methylbenzyl)thio)-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amineSMR000043949MLS000082384CHEMBL1439150HMS2412B19STL298727AKOS002188783ST50084255
Show more names
SALOR-INT L405302-1EA4H-1,2,4-Triazol-4-amine, 3-[[(2-methylphenyl)methyl]thio]-5-(2-pyridinyl)-
3-[(2-methylbenzyl)sulfanyl]-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine3-[(2-methylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
Database identifiers
- CAS
585558-97-0- PubChem CID
- 663183
- ChEMBL
CHEMBL1439150- EC Number
- 643-376-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 556.8 · 556.8±52.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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