1-(4-Bromo-2-fluorophenyl)-3-(dimethylaminomethylidene)thiourea
Basic information
- CAS
477852-62-3- Standard SMILES
CN(C)C=NC(=S)Nc1ccc(Br)cc1F- InChIKey
UXEJJPIVAWIWLF-UHFFFAOYSA-N- Molecular formula
- C10H11BrFN3S
- Average molar mass
- 304.18 g/mol
- Monoisotopic mass
- 302.98411
Names & identifiers
- Preferred name
- 1-(4-Bromo-2-fluorophenyl)-3-(dimethylaminomethylidene)thiourea
- IUPAC
- 1-(4-bromo-2-fluorophenyl)-3-(dimethylaminomethylidene)thiourea
- English name
- N-(4-BROMO-2-FLUOROPHENYL)-N'-[(DIMETHYLAMINO)METHYLENE]THIOUREA
- Molecular formula
- C10H11BrFN3S
- Molecular weight
- 304.18
Names & synonyms
HMS2185A111-(4-bromo-2-fluorophenyl)-3-[(1E)-(dimethylamino)methylidene]thiourea1-(4-bromo-2-fluorophenyl)-3-(dimethylaminomethylidene)thioureaAKOS030243863N-(4-BROMO-2-FLUOROPHENYL)-N'-[(DIMETHYLAMINO)METHYLENE]THIOUREAThiourea, (4-bromo-2-fluorophenyl)[(dimethylamino)methylene]- (9CI)
Database identifiers
- CAS
477852-62-3- PubChem CID
- 2766541
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 334.443 · 334.443±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.464 · 1.464±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.356 · 8.356±0.10(predicted)
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Compound notes
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