Cas no 1305356-30-2 (2-methoxypyrimidine-5-thiol)

2-methoxypyrimidine-5-thiol structure
2-methoxypyrimidine-5-thiol structure
Product Name:2-methoxypyrimidine-5-thiol
CAS No:1305356-30-2
MF:C5H6N2OS
MW:142.178939342499
CID:6391462
PubChem ID:119084503
Update Time:2024-01-15

2-methoxypyrimidine-5-thiol Chemical and Physical Properties

Names and Identifiers

    • 2-methoxypyrimidine-5-thiol
    • 5-Pyrimidinethiol, 2-methoxy-
    • AKOS040766162
    • 1305356-30-2
    • SCHEMBL19464686
    • EN300-19580574
    • Inchi: 1S/C5H6N2OS/c1-8-5-6-2-4(9)3-7-5/h2-3,9H,1H3
    • InChI Key: ZJUCJFRMQOTLFY-UHFFFAOYSA-N
    • SMILES: C1(OC)=NC=C(S)C=N1

Computed Properties

  • Exact Mass: 142.02008399g/mol
  • Monoisotopic Mass: 142.02008399g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 83
  • 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: 0.7
  • Topological Polar Surface Area: 36?2

Experimental Properties

  • Density: 1.263±0.06 g/cm3(Predicted)
  • Boiling Point: 269.1±32.0 °C(Predicted)
  • pka: 4.25±0.22(Predicted)

2-methoxypyrimidine-5-thiol Pricemore >>

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