Thiocarbanidin
Basic information
- CAS
92-97-7- Standard SMILES
CC(C)COc1ccc(NC(=S)Nc2ccc(-c3ccccn3)cc2)cc1- InChIKey
WBZHNJKKIOZEEE-UHFFFAOYSA-N- Molecular formula
- C22H23N3OS
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.15618354
Names & identifiers
- Preferred name
- Thiocarbanidin
- IUPAC
- 1-[4-(2-methylpropoxy)phenyl]-3-(4-pyridin-2-ylphenyl)thiourea
- English name
- Thiocarbanidin
- Molecular formula
- C22H23N3OS
- Molecular weight
- 377.5
Names & synonyms
ThiocarbanidinThioban92-97-7UNII-370694U45WN,N'-Bis(1,1'-biphenyl-4-yl)thiourea370694U45WDTXSID30238819Thiourea, N,N'-bis(1,1'-biphenyl-4-yl)-RefChem:189434DTXCID301613101-[4-(2-methylpropoxy)phenyl]-3-(4-pyridin-2-ylphenyl)thioureaCHEMBL2107500
Show more names
1-(4-isobutoxyphenyl)-3-(4-(pyridin-2-yl)phenyl)thioureaN-[4-(2-Methylpropoxy)phenyl]-N'-[4-(2-pyridinyl)phenyl]thioureaThiourea, N-[4-(2-methylpropoxy)phenyl]-N'-[4-(2-pyridinyl)phenyl]-
4-(.alpha.-Pyridyl)-4'-isobutoxy thiocarbanilideQ268408001-(4-isobutoxyphenyl)-3-[4-(2-pyridyl)phenyl]thioureaN-(4-isobutoxyphenyl)-N'-[4-(2-pyridinyl)phenyl]thioureaN-[4-(2-Methylpropoxy)phenyl]-N'-[4-(pyridin-2-yl)phenyl]thiourea
Database identifiers
- CAS
92-97-7- PubChem CID
- 3002018
- DTXSID
DTXSID30238819- ChEMBL
CHEMBL2107500- UNII
- 370694U45W
- Nikkaji
- J4.664G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 149 · 149-150 °C(Solv: ethanol (64-17-5))
- Boiling point
- 523.4 · 523.4±60.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 12.16 · 12.16±0.70(Predicted)
- FDA UNII
- 370694 U45W · 370694U45W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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