n-(4-Tert-butylphenyl)-n'-(2-methyl-3-furoyl)thiourea
Basic information
- CAS
856906-63-3- Standard SMILES
Cc1occc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1- InChIKey
AOZCGDKRKLQNPG-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Names & identifiers
- Preferred name
- n-(4-Tert-butylphenyl)-n'-(2-methyl-3-furoyl)thiourea
- IUPAC
- N-[(4-tert-butylphenyl)carbamothioyl]-2-methylfuran-3-carboxamide
- English name
- N-(4-tert-Butylphenyl)-N'-(2-methyl-3-furoyl)thiourea
- Molecular formula
- C17H20N2O2S
- Molecular weight
- 316.42
Names & synonyms
SCHEMBL5445865AKOS024411856n-(4-tert-butylphenyl)-n'-(2-methyl-3-furoyl)thiourea3-Furancarboxamide, N-[[[4-(1,1-dimethylethyl)phenyl]amino]thioxomethyl]-2-methyl-
Database identifiers
- CAS
856906-63-3- PubChem CID
- 4453460
- EC Number
- 131-565-2
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 135 · 135-136 °C(Solvent: Ethyl acetate; Hexane)
- Density
- 1.197 · 1.197±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.981 · 9.981±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…