Basic information
- CAS
667879-44-9- Standard SMILES
Cc1ccc(-c2nnc(SCC(N)=O)n2N)cc1- InChIKey
ONOGABKUTGXOLH-UHFFFAOYSA-N- Molecular formula
- C11H13N5OS
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.08408123
Names & identifiers
- Preferred name
- 2-((4-Amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
- IUPAC
- 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
667879-44-92-((4-Amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamideRefChem:448848643-266-92-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamideSTK120772AKOS000368070ST50083226AO-081/41965153SR-01000268390SR-01000268390-1
Show more names
2-((4-amino-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide2-[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetamide
Database identifiers
- CAS
667879-44-9- PubChem CID
- 848264
- EC Number
- 643-266-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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