11-(3-Fluorophenyl)-4-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

Base Information

• Chemical Name: 11-(3-Fluorophenyl)-4-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
• CAS No.: 6162-51-2
• Molecular Formula: C14H10FN3OS
• Molecular Weight: 287.31
• DSSTox Substance ID: DTXSID50390680
• Wikidata: Q82187625

Synonyms:CBMicro_001678;6162-51-2;11-(3-Fluorophenyl)-4-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one;Oprea1_611209;Oprea1_809646;DTXSID50390680;SMSF0015934;CB03449;BIM-0001890.P001;SR-01000229548;SR-01000229548-1

Chemical Property of 11-(3-Fluorophenyl)-4-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

Chemical Property:

• Vapor Pressure: 5.08E-09mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 287.05286129
• Heavy Atom Count: 20
• Complexity: 569

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1CSC2=C1N=C3C=C(NN3C2=O)C4=CC(=CC=C4)F

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