Basic information
- CAS
96938-58-8- Standard SMILES
O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1- InChIKey
MHSUAFYCAOSBHD-UHFFFAOYSA-N- Molecular formula
- C20H16N4OS
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.10448232
Names & identifiers
- Preferred name
- N-benzoyl-N'-{4-[(E)-2-phenyldiazenyl]phenyl}thiourea
- IUPAC
- N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide
- English name
- N-Benzoyl-N'-(4-[(E)-2-phenyldiazenyl]phenyl)thiourea
- Molecular formula
- C20H16N4OS
- Molecular weight
- 360.43
Names & synonyms
96938-58-8N-benzoyl-N'-{4-[(E)-2-phenyldiazenyl]phenyl}thiourea3-benzoyl-1-{4-[(E)-2-phenyldiazen-1-yl]phenyl}thioureaN-[(4-phenyldiazenylphenyl)carbamothioyl]benzamideUrea, 1-benzoyl-3-(p-(phenylazo)phenyl)-2-thio-MFCD00364543USAF K-1480BRN 47097713-Benzoyl-1-(p-(phenylazo)phenyl)-2-thioureaBionet1_003379CBDivE_001134HMS578E21
Show more names
1-benzoyl-3-(4-phenylazophenyl)thioureaN-Benzoyl-N'-(4-[(E)-2-phenyldiazenyl]phenyl)thioureaBenzamide, N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
DTXSID20242647AKOS002162063AKOS003448669AKOS030240255ST500365366N-069N-({[4-(phenyldiazenyl)phenyl]amino}carbonothioyl)benzamideN-({4-[(E)-Phenyldiazenyl]phenyl}carbamothioyl)benzamide
Database identifiers
- CAS
96938-58-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Melting point
- 198 · 198-199 °C(Solv: ethanol (64-17-5))
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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