4-(4-methylphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Base Information

• Chemical Name: 4-(4-methylphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
• CAS No.: 352657-73-9
• Molecular Formula: C17H14N4OS2
• Molecular Weight: 354.5
• DSSTox Substance ID: DTXSID701322258
• ChEMBL ID: CHEMBL1596823
• Mol file: 352657-73-9.mol

Synonyms:MLS000779698;SMR000419881;4-(4-methylphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one;1-Mercapto-4-p-tolyl-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indacen-5-one;CHEMBL1596823;BDBM59033;cid_1212146;DTXSID701322258;HMS2786N05;STK059102;STL509882;AKOS005387536;AKOS037490432;352657-73-9;4-(4-methylphenyl)-1-thioxo-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one;7-(4-methylphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one

Chemical Property of 4-(4-methylphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 354.06090343
• Heavy Atom Count: 24
• Complexity: 616

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5