2-bromo-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Base Information

• Chemical Name: 2-bromo-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• CAS No.: 139535-51-6
• Molecular Formula: C₆H₄BrN₃OS
• Molecular Weight: 246.087
• European Community (EC) Number: 964-152-8
• DSSTox Substance ID: DTXSID40576350
• Wikidata: Q82465990
• Mol file: 139535-51-6.mol

Synonyms:2-bromo-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one;139535-51-6;5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-bromo-7-methyl-;2-BROMO-7-METHYL-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-5-ONE;SCHEMBL2445251;DTXSID40576350;AKOS009117935;AT33603;CS-0078635;EN300-27123;Z235344679;2-bromo-7-methyl-5-oxo-5h-1,3,4-thiadiazolo[3,2-a]pyrimidine

Chemical Property of 2-bromo-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Chemical Property:

• PSA: 75.50000
• LogP: 1.22190
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 244.92585
• Heavy Atom Count: 12
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

2-BROMO-7-METHYL-5H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N2C(=N1)SC(=N2)Br