Chemical Property of Benzoylthiourea
Chemical Property:
- Vapor Pressure:0.000336mmHg at 25°C
- Melting Point:174-176°C
- Refractive Index:1.653
- Boiling Point:319.5 °C at 760 mmHg
- PKA:9.63±0.70(Predicted)
- Flash Point:147.1 °C
- PSA：87.21000
- Density:1.301g/cm3
- LogP:1.75120
- Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
- Water Solubility.:Insoluble in water.
- XLogP3:1.6
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:1
- Exact Mass:180.03573406
- Heavy Atom Count:12
- Complexity:188
- Purity/Quality:
-
99.9% *data from raw suppliers
Benzoylthiourea *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xi
- Hazard Codes:Xi
- Statements:
22
- Safety Statements:
22-36/37
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=S)N
-
General Description
1-BENZOYL-2-THIOUREA (also known as N-benzoylthiourea) is characterized by strong intramolecular N-H···O hydrogen bonds, which create nearly planar six-membered rings and stabilize its molecular conformation. Additionally, intermolecular N-H···S hydrogen bonds between symmetry-independent molecules lead to the formation of consecutive dimers that extend into ribbon-like structures along the [100] crystallographic direction. These interactions highlight its structural rigidity and propensity for supramolecular assembly.
