Cas no 5862-49-7 (Ethanol, 2-[(1-methylethyl)thio]-, acetate)

Ethanol, 2-[(1-methylethyl)thio]-, acetate structure
5862-49-7 structure
Product Name:Ethanol, 2-[(1-methylethyl)thio]-, acetate
CAS No:5862-49-7
MF:C7H16O3S
MW:180.265141487122
CID:341443
PubChem ID:71443436
Update Time:2025-04-19

Ethanol, 2-[(1-methylethyl)thio]-, acetate Chemical and Physical Properties

Names and Identifiers

    • Ethanol, 2-[(1-methylethyl)thio]-, acetate
    • acetic acid,2-propan-2-ylsulfanylethanol
    • DTXSID80852261
    • Acetic acid--2-[(propan-2-yl)sulfanyl]ethan-1-ol (1/1)
    • 5862-49-7
    • Inchi: 1S/C5H12OS.C2H4O2/c1-5(2)7-4-3-6;1-2(3)4/h5-6H,3-4H2,1-2H3;1H3,(H,3,4)
    • InChI Key: VVHGYCNTOBZMGI-UHFFFAOYSA-N
    • SMILES: S(CCO)C(C)C.OC(C)=O

Computed Properties

  • Exact Mass: 180.08208
  • Monoisotopic Mass: 180.08201554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 68.1
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • PSA: 57.53
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