Methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Base Information

• Chemical Name: Methyl 5-(1,3-benzothiazol-2-yl)pentanoate
• CAS No.: 100372-38-1
• Molecular Formula: C₁₃H₁₅NO₂S
• Molecular Weight: 249.334
• DSSTox Substance ID: DTXSID20592412
• Wikidata: Q82486513
• Mol file: 100372-38-1.mol

Synonyms:Methyl 5-(1,3-benzothiazol-2-yl)pentanoate;100372-38-1;SCHEMBL6642379;DTXSID20592412;DGJUIJHJDRLZAU-UHFFFAOYSA-N;methyl 5-(2-benzothiazolyl)pentanoate;methyl 5-(2-benzo-thiazolyl)pentanoate

Chemical Property of Methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 260

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• Canonical SMILES: COC(=O)CCCCC1=NC2=CC=CC=C2S1

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