3-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanethioamide
Basic information
- CAS
1306605-65-1- Standard SMILES
NC(=S)CCn1cc(Br)c(C(F)(F)F)n1- InChIKey
OBTWQVPVMWMMNU-UHFFFAOYSA-N- Molecular formula
- C7H7BrF3N3S
- Average molar mass
- 302.12 g/mol
- Monoisotopic mass
- 300.94962
Names & identifiers
- Preferred name
- 3-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanethioamide
- IUPAC
- 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanethioamide
Names & synonyms
3-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanethioamide1306605-65-1DTXSID801186851EN300-774451H-Pyrazole-1-propanethioamide, 4-bromo-3-(trifluoromethyl)-
Database identifiers
- CAS
1306605-65-1- PubChem CID
- 54593409
- DTXSID
DTXSID801186851
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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