2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Basic information
- CAS
337487-69-1- Standard SMILES
CCn1c(SCC(=O)O)nnc1-c1ccc(Cl)cc1Cl- InChIKey
MMEQDLUEWRRHGK-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N3O2S
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 330.9949032
Names & identifiers
- Preferred name
- 2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
- IUPAC
- 2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
- English name
- Acetic acid, 2-[[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-
- Molecular formula
- C12H11Cl2N3O2S
- Molecular weight
- 332.21
Names & synonyms
337487-69-12-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetic acid{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acidBAS 01290494([5-(2,4-Dichlorophenyl)-4-ethyl-4h-1,2,4-triazol-3-yl]thio)acetic acidMNA48769AKOS000581578CS-0221434ST50250481EN300-09123
Show more names
Acetic acid, 2-[[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-
G31565AG-690/13704113Z559930062-[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-ylthio]acetic acid2-((5-(2,4-DICHLOROPHENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
Database identifiers
- CAS
337487-69-1- PubChem CID
- 767255
- EC Number
- 140-671-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
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]
P264, P270, P301+P317, P330, 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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