Cas no 39251-22-4 (Thiophene, 2-(cyclopentylmethyl)-)

Thiophene, 2-(cyclopentylmethyl)- structure
39251-22-4 structure
Product Name:Thiophene, 2-(cyclopentylmethyl)-
CAS No:39251-22-4
MF:C10H14S
MW:166.283161640167
CID:1502941
Update Time:2024-08-23

Thiophene, 2-(cyclopentylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 2-(cyclopentylmethyl)-
    • Inchi: 1S/C10H14S/c1-2-5-9(4-1)8-10-6-3-7-11-10/h3,6-7,9H,1-2,4-5,8H2
    • InChI Key: MHCDPUQZSITUCR-UHFFFAOYSA-N
    • SMILES: C1(CC2CCCC2)SC=CC=1

Computed Properties

  • Exact Mass: 166.08172
  • Monoisotopic Mass: 166.082
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 116
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.062±0.06 g/cm3(Predicted)
  • Boiling Point: 235.3±9.0 °C(Predicted)
  • PSA: 0
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