2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Base Information

• Chemical Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
• CAS No.: 5507-12-0
• Molecular Formula: C22H19N5O2S2
• Molecular Weight: 449.5486
• DSSTox Substance ID: DTXSID10366528
• Wikidata: Q82151780

Synonyms:5507-12-0;2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;DTXSID10366528;AKOS033339781;Z14355641;2-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one

Chemical Property of 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.47g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 449.09801721
• Heavy Atom Count: 31
• Complexity: 689

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CO5)C

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