2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Basic information
- CAS
497174-93-3- Standard SMILES
Cn1c(SCC(=O)O)nnc1-c1cccs1- InChIKey
PMGRDLPMNWUUHO-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2S2
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.01361889
Names & identifiers
- Preferred name
- 2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
- IUPAC
- 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
- English name
- BUTTPARK 14\07-39
- Molecular formula
- C9H9N3O2S2
- Molecular weight
- 255.32
Names & synonyms
497174-93-32-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid[(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid2-((4-Methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid2-([4-Methyl-5-(thiophen-2-yl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetic acidBUTTPARK 14\07-39MFCD00665769XUA17493SBB053421AKOS005186894TS-00818
Show more names
[(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acAcetic acid, 2-[[4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-
CS-0256900EN300-65566G38270F669194Z1947492742-(4-methyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)acetic acid2-((4-Methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)aceticacid
Database identifiers
- CAS
497174-93-3- PubChem CID
- 860468
- EC Number
- 113-283-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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