5-(4-bromophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

Base Information

• Chemical Name: 5-(4-bromophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
• CAS No.: 312946-33-1
• Molecular Formula: C12H7BrN2OS2
• Molecular Weight: 339.2
• DSSTox Substance ID: DTXSID601320235
• ChEMBL ID: CHEMBL1901553
• Mol file: 312946-33-1.mol

Synonyms:5-(4-bromophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one;312946-33-1;5-(4-bromophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one;ChemDiv1_004339;MLS001179293;CHEMBL1901553;HMS599F05;5-(4-bromophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4-ol;NTAJPZDBKREMIK-UHFFFAOYSA-N;DTXSID601320235;HMS2795G17;STK564998;AKOS003681615;AKOS005490761;SMR000476029;EU-0005543;AE-848/36199059;SR-01000438682;SR-01000438682-1;Thieno[2,3-d]pyrimidin-4(1H)-one, 5-(4-bromophenyl)-2,3-dihydro-2-thioxo-

Chemical Property of 5-(4-bromophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 337.91832
• Heavy Atom Count: 18
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=S)N3)Br

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