2-[2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Base Information

• Chemical Name: 2-[2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione
• CAS No.: 5987-87-1
• Molecular Formula: C22H13FN2O2S2
• Molecular Weight: 420.5
• DSSTox Substance ID: DTXSID70359931
• Wikidata: Q82141373

Synonyms:5987-87-1;2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione;2-{2-[(4-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione;CBMicro_014285;Oprea1_275948;DTXSID70359931;SMSF0010802;STK724099;AKOS001626675;CB09305;BIM-0014142.P001;AG-205/37199054;2-(2-{[(4-FLUOROPHENYL)METHYL]SULFANYL}-1,3-BENZOTHIAZOL-6-YL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

Chemical Property of 2-[2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Chemical Property:

• Vapor Pressure: 2.16E-15mmHg at 25°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 420.04024817
• Heavy Atom Count: 29
• Complexity: 618

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• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)F

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