Benzothiazole, 2-[[(2R)-2-methoxy-4-pentynyl]thio]-

Base Information

• Chemical Name: Benzothiazole, 2-[[(2R)-2-methoxy-4-pentynyl]thio]-
• CAS No.: 641613-68-5
• Molecular Formula: C₁₃H₁₃NOS₂
• Molecular Weight: 263.384
• DSSTox Substance ID: DTXSID90464475
• Wikidata: Q82289801

Synonyms:Benzothiazole, 2-[[(2R)-2-methoxy-4-pentynyl]thio]-;641613-68-5;DTXSID90464475

Chemical Property of Benzothiazole, 2-[[(2R)-2-methoxy-4-pentynyl]thio]-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 263.04385639
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CC#C)CSC1=NC2=CC=CC=C2S1
• Isomeric SMILES: CO[C@H](CC#C)CSC1=NC2=CC=CC=C2S1

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