Cas no 1019637-49-0 ((2-methylfuran-3-yl)methanethiol)

(2-methylfuran-3-yl)methanethiol structure
1019637-49-0 structure
Product Name:(2-methylfuran-3-yl)methanethiol
CAS No:1019637-49-0
MF:C6H8OS
MW:128.192120552063
CID:5601136
PubChem ID:20623539
Update Time:2023-11-24

(2-methylfuran-3-yl)methanethiol Chemical and Physical Properties

Names and Identifiers

    • 3-Furanmethanethiol, 2-methyl-
    • 1019637-49-0
    • (2-methylfuran-3-yl)methanethiol
    • EN300-1288114
    • Inchi: 1S/C6H8OS/c1-5-6(4-8)2-3-7-5/h2-3,8H,4H2,1H3
    • InChI Key: ZIVUXHSTEDEYKF-UHFFFAOYSA-N
    • SMILES: O1C=CC(CS)=C1C

Computed Properties

  • Exact Mass: 128.02958605g/mol
  • Monoisotopic Mass: 128.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 74.9
  • 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: 1.5
  • Topological Polar Surface Area: 14.1?2

Experimental Properties

  • Density: 1.078±0.06 g/cm3(Predicted)
  • Boiling Point: 178.4±25.0 °C(Predicted)
  • pka: 9.45±0.10(Predicted)

(2-methylfuran-3-yl)methanethiol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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