Basic information
- CAS
128143-17-9- Standard SMILES
NC(=S)Nc1ccc(F)c(C(F)(F)F)c1- InChIKey
JPCYQRBIHAGREP-UHFFFAOYSA-N- Molecular formula
- C8H6F4N2S
- Average molar mass
- 238.21 g/mol
- Monoisotopic mass
- 238.01878202
Names & identifiers
- Preferred name
- 4-Fluoro-3-trifluoromethylphenylthiourea
- IUPAC
- [4-fluoro-3-(trifluoromethyl)phenyl]thiourea
- English name
- 4-Fluoro-3-trifluoromethylphenylthiourea
- Molecular formula
- C8H6F4N2S
- Molecular weight
- 238.21
Names & synonyms
4-Fluoro-3-trifluoromethylphenylthiourea128143-17-9[4-fluoro-3-(trifluoromethyl)phenyl]thioureaC8H6F4N2SSCHEMBL2579126DTXSID60603056JPCYQRBIHAGREP-UHFFFAOYSA-NAKOS010478981CS-0257724H54223EN300-6762521N-[4-Fluoro-3-(trifluoromethyl)phenyl]thiourea
Show more names
Thiourea, N-[4-fluoro-3-(trifluoromethyl)phenyl]-
F062868
Database identifiers
- CAS
128143-17-9- PubChem CID
- 20157461
- DTXSID
DTXSID60603056
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 112 · 112-114°
- Boiling point
- 268 · 268.0±50.0 °C(Predicted)
- Density
- 1.534 · 1.534±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 12.6 · 12.60±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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