2-(Trifluoromethyl)pyrimidine-4(3H)-thione
Basic information
- CAS
672-43-5- Standard SMILES
FC(F)(F)c1nccc(=S)[nH]1- InChIKey
WTJYENIYCBTUPM-UHFFFAOYSA-N- Molecular formula
- C5H3F3N2S
- Average molar mass
- 180.15 g/mol
- Monoisotopic mass
- 179.99690376
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)pyrimidine-4(3H)-thione
- IUPAC
- 2-(trifluoromethyl)-1H-pyrimidine-6-thione
- English name
- 4(1H)-PYRIMIDINETHIONE, 2-(TRIFLUOROMETHYL)-
- Molecular formula
- C5H3F3N2S
- Molecular weight
- 180.15
Names & synonyms
672-43-52-(TRIFLUOROMETHYL)PYRIMIDINE-4-THIOL2-(Trifluoromethyl)pyrimidine-4(3H)-thione2-(trifluoromethyl)-1H-pyrimidine-6-thione4(1H)-PYRIMIDINETHIONE, 2-(TRIFLUOROMETHYL)-NSC54426SCHEMBL11326196DTXSID50398282WTJYENIYCBTUPM-UHFFFAOYSA-N2-Trifluoromethyl-pyrimidine-4-thiolNSC-54426AKOS000320538
Show more names
2-trifluoromethyl-3H-pyrimidine-4-thione4(3H)-Pyrimidinethione, 2-(trifluoromethyl)-
AKOS006290615DB-3463652-(Trifluoromethyl)pyrimidine-4(1h)-thioneCS-0364847F2124-0823
Database identifiers
- CAS
672-43-5- PubChem CID
- 3967003
- DTXSID
DTXSID50398282
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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