1-Benzyl-5-methyl-2-thioxotetrahydropyrimidin-4(1H)-one

Base Information

• Chemical Name: 1-Benzyl-5-methyl-2-thioxotetrahydropyrimidin-4(1H)-one
• CAS No.: 61282-92-6
• Molecular Formula: C12H14 N2 O S
• Molecular Weight: 234.3174
• ChEMBL ID: CHEMBL1889780
• DSSTox Substance ID: DTXSID00407691
• NSC Number: 49060
• Mol file: 61282-92-6.mol

Synonyms:61282-92-6;MLS002667231;1-Benzyl-5-methyl-2-thioxotetrahydropyrimidin-4(1H)-one;NSC49060;CHEMBL1889780;DTXSID00407691;HMS3089D07;NSC-49060;SMR001557000

Chemical Property of 1-Benzyl-5-methyl-2-thioxotetrahydropyrimidin-4(1H)-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.25g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.08268425
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(C(=S)NC1=O)CC2=CC=CC=C2