3-((Trifluoromethyl)thio)pyrazine-2-carboxylic acid
Basic information
- CAS
1206524-12-0- Standard SMILES
O=C(O)c1nccnc1SC(F)(F)F- InChIKey
HTXAARDOELCICK-UHFFFAOYSA-N- Molecular formula
- C6H3F3N2O2S
- Average molar mass
- 224.16 g/mol
- Monoisotopic mass
- 223.986733
Names & identifiers
- Preferred name
- 3-((Trifluoromethyl)thio)pyrazine-2-carboxylic acid
- IUPAC
- 3-(trifluoromethylsulfanyl)pyrazine-2-carboxylic acid
Names & synonyms
1206524-12-03-((Trifluoromethyl)thio)pyrazine-2-carboxylic acid3-[(Trifluoromethyl)sulfanyl]pyrazine-2-carboxylic acid3-(Trifluoromethylthio)pyrazine-2-carboxylic acid3-(trifluoromethylsulfanyl)pyrazine-2-carboxylic acidDTXSID901223884MFCD23382387AKOS0173448823-((Trifluoromethyl)thio)pyrazine-2-carboxylicacid3-[(Trifluoromethyl)thio]-2-pyrazinecarboxylic acid
Database identifiers
- CAS
1206524-12-0- PubChem CID
- 75406471
- DTXSID
DTXSID901223884
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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