Cas no 1310427-75-8 (Ethyl 4-(4-methylthiophen-2-yl)butanoate)

Ethyl 4-(4-methylthiophen-2-yl)butanoate structure
1310427-75-8 structure
Product Name:Ethyl 4-(4-methylthiophen-2-yl)butanoate
CAS No:1310427-75-8
MF:C11H16O2S
MW:212.308542251587
CID:2154030
Update Time:2023-08-05

Ethyl 4-(4-methylthiophen-2-yl)butanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-(4-methylthiophen-2-yl)butanoate
    • Ethyl 4-(4-methylthiophen-2-yl)butanoate
    • Inchi: 1S/C11H16O2S/c1-3-13-11(12)6-4-5-10-7-9(2)8-14-10/h7-8H,3-6H2,1-2H3
    • InChI Key: FBQKXCVUIJDJCQ-UHFFFAOYSA-N
    • SMILES: S1C=C(C)C=C1CCCC(=O)OCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 182
  • Topological Polar Surface Area: 54.5
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