Thiourea, N-(3-chloro-4-fluorophenyl)-N'-[4-[2-(4-methylphenyl)diazenyl]phenyl]-
Basic information
- CAS
356573-56-3- Standard SMILES
Cc1ccc(N=Nc2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2)cc1- InChIKey
ZQGSGAFVVYFGIX-UHFFFAOYSA-N- Molecular formula
- C20H16ClFN4S
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.0768236
Names & identifiers
- Preferred name
- Thiourea, N-(3-chloro-4-fluorophenyl)-N'-[4-[2-(4-methylphenyl)diazenyl]phenyl]-
- IUPAC
- 1-(3-chloro-4-fluorophenyl)-3-[4-[(4-methylphenyl)diazenyl]phenyl]thiourea
Names & synonyms
DTXSID501041323AKOS003259902Thiourea, N-(3-chloro-4-fluorophenyl)-N'-[4-[2-(4-methylphenyl)diazenyl]phenyl]-356573-56-3
Database identifiers
- CAS
356573-56-3- PubChem CID
- 4233085
- DTXSID
DTXSID501041323
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 504
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Compound notes
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