Basic information
- CAS
133307-10-5- Standard SMILES
NC(=S)Nc1c(Cl)cc(C(F)(F)F)cc1Cl- InChIKey
NIAMKDVGKMOWBT-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2F3N2S
- Average molar mass
- 289.1 g/mol
- Monoisotopic mass
- 287.9502592
Names & identifiers
- Preferred name
- [2,6-Dichloro-4-(trifluoromethyl)phenyl]thiourea
- IUPAC
- [2,6-dichloro-4-(trifluoromethyl)phenyl]thiourea
Names & synonyms
[2,6-dichloro-4-(trifluoromethyl)phenyl]thiourea133307-10-5SCHEMBL9723073NIAMKDVGKMOWBT-UHFFFAOYSA-NDTXSID901226226N-[2,6-Dichloro-4-(trifluoromethyl)phenyl]thiourea
Database identifiers
- CAS
133307-10-5- PubChem CID
- 19821746
- DTXSID
DTXSID901226226
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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