Basic information
- CAS
1354959-67-3- Standard SMILES
CN(C)C(=O)Sc1cnn(-c2ccccc2F)c1- InChIKey
HBCJGVGDHFKURT-UHFFFAOYSA-N- Molecular formula
- C12H12FN3OS
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.06851135
Names & identifiers
- Preferred name
- 1-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]sulfanyl}-N,N-dimethylformamide
- IUPAC
- S-[1-(2-fluorophenyl)pyrazol-4-yl] N,N-dimethylcarbamothioate
Names & synonyms
1-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]sulfanyl}-N,N-dimethylformamide1354959-67-3S-[1-(2-fluorophenyl)pyrazol-4-yl] N,N-dimethylcarbamothioate1-([1-(2-FLUOROPHENYL)-1H-PYRAZOL-4-YL]SULFANYL)-N,N-DIMETHYLFORMAMIDEEEC95967NCGC00665674-01CS-0263814EN300-90181G60847
Database identifiers
- CAS
1354959-67-3- PubChem CID
- 54595445
- EC Number
- 174-259-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
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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