Basic information
- CAS
175277-05-1- Standard SMILES
NC(CSc1ccc(C(F)(F)F)cn1)=NO- InChIKey
UJOODZVKQSYBQC-UHFFFAOYSA-N- Molecular formula
- C8H8F3N3OS
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.03401755
Names & identifiers
- Preferred name
- N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide
- IUPAC
- N'-hydroxy-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanimidamide
- English name
- 2-[5-(TRIFLUOROMETHYL)PYRID-2-YLTHIO]ACETAMIDE OXIME
- Molecular formula
- C8H8F3N3OS
- Molecular weight
- 251.23
Names & synonyms
175277-05-1N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamideN-Hydroxy-2-((5-(trifluoromethyl)pyridin-2-yl)thio)acetimidamideDTXSID80372535N'-Hydroxy{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethanimidamideTrifluoromethylpyridylthioacetamideoxime2-[5-(TRIFLUOROMETHYL)PYRID-2-YLTHIO]ACETAMIDE OXIMEN'-hydroxy-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}ethanimidamideEthanimidamide, N-hydroxy-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]-
Database identifiers
- CAS
175277-05-1- PubChem CID
- 2744535
- DTXSID
DTXSID80372535
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 141 · 141-143°C
- Boiling point
- 336.775 · 336.775±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.523 · 1.523±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.435 · 13.435±0.50(predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers7 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
INTRCHM-FLUR[email protected]
APOLLO-NMR[email protected]
MOLEKULA[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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