Basic information
- CAS
208173-23-3- Standard SMILES
NC(=S)Nc1c(F)cc(F)cc1F- InChIKey
OGPVNYDSJLSSEQ-UHFFFAOYSA-N- Molecular formula
- C7H5F3N2S
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.01255383
Names & identifiers
- Preferred name
- 1-(2,4,6-Trifluorophenyl)-2-thiourea
- IUPAC
- (2,4,6-trifluorophenyl)thiourea
- English name
- 1-(2,4,6-Trifluorophenyl)-2-thiourea
- Molecular formula
- C7H5F3N2S
- Molecular weight
- 206.19
Names & synonyms
208173-23-31-(2,4,6-Trifluorophenyl)-2-thiourea1-(2,4,6-Trifluorophenyl)thiourea(2,4,6-trifluorophenyl)thioureaMFCD00041151SCHEMBL144202DTXSID601300188N-(2,4,6-Trifluorophenyl)thioureaAKOS015000988Thiourea, N-(2,4,6-trifluorophenyl)-
Database identifiers
- CAS
208173-23-3- PubChem CID
- 56832300
- DTXSID
DTXSID601300188
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 193 · 193~195℃
- Boiling point
- 224.9 · 224.9±50.0 °C(Predicted)
- Density
- 1.583 · 1.583±0.06 g/cm3(Predicted)
- pka
- 11.26 · 11.26±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Chemistry & industry
Suppliers4 total
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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