Cas no 396088-09-8 (2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol)

2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol structure
396088-09-8 structure
Product Name:2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol
CAS No:396088-09-8
MF:C11H16O2S
MW:212.308542251587
CID:299740
PubChem ID:45094272
Update Time:2025-04-19

2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol Chemical and Physical Properties

Names and Identifiers

    • Benzeneethanethiol,3-ethoxy-4-methoxy-
    • Benzeneethanethiol, 3-ethoxy-4-methoxy- (9CI)
    • 2-(3-ethoxy-4-methoxyphenyl)ethanethiol
    • 2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol
    • DTXSID40667272
    • EN300-1827408
    • 396088-09-8
    • Inchi: 1S/C11H16O2S/c1-3-13-11-8-9(6-7-14)4-5-10(11)12-2/h4-5,8,14H,3,6-7H2,1-2H3
    • InChI Key: ADRRJYQSGHNFKG-UHFFFAOYSA-N
    • SMILES: SCCC1C=CC(=C(C=1)OCC)OC

Computed Properties

  • Exact Mass: 212.08718
  • Monoisotopic Mass: 212.087
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 152
  • 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
  • XLogP3: 2.4
  • Topological Polar Surface Area: 19.5A^2

Experimental Properties

  • PSA: 18.46

2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1827408-0.05g
2-(3-ethoxy-4-methoxyphenyl)ethane-1-thiol
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Enamine
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Enamine
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Enamine
EN300-1827408-10.0g
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