N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthiourea

Base Information

• Chemical Name: N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthiourea
• CAS No.: 167781-43-3
• Molecular Formula: C24H20 N2 O S
• Molecular Weight: 384.49
• European Community (EC) Number: 634-941-9
• DSSTox Substance ID: DTXSID90403728
• Nikkaji Number: J659.430A
• Wikidata: Q82207481
• Mol file: 167781-43-3.mol

Synonyms:167781-43-3;N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthiourea;N-[anthracen-9-ylmethyl(methyl)carbamothioyl]benzamide;DTXSID90403728

Chemical Property of N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthiourea

Chemical Property:

• Melting Point: 175-180 °C
• PKA: 9.28±0.70(Predicted)
• PSA: 64.43000
• Density: 1.264±0.06 g/cm3(Predicted)
• LogP: 5.53500
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 384.12963444
• Heavy Atom Count: 28
• Complexity: 537

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=S)NC(=O)C4=CC=CC=C4