Cas no 23956-11-8 (5-(2-hydroxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)

5-(2-hydroxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one structure
23956-11-8 structure
Product Name:5-(2-hydroxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
CAS No:23956-11-8
MF:C6H8N2O2S
MW:172.204919815063
MDL:MFCD01593683
CID:283431
PubChem ID:3614677
Update Time:2025-04-19

5-(2-hydroxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone,2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-
    • 2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-4(1H)-Pyrimidinone
    • NSC 528411
    • 5-(2-hydroxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
    • NSC528411
    • FT-0728945
    • 5-(2-hydroxyethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
    • SB56091
    • DTXSID60394311
    • AKOS027473628
    • BHOFBQMOMPQKCN-UHFFFAOYSA-N
    • F12774
    • AKOS027473671
    • SCHEMBL3537530
    • NSC-528411
    • AKOS027339868
    • MFCD30835785
    • AKOS027473672
    • 5-(2-hydroxyethyl)-2-mercaptopyrimidin-4-ol
    • 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
    • 23956-11-8
    • EN300-325739
    • MFCD01593680
    • 5-(2-hydroxyethyl)-2-thiouracil
    • MDL: MFCD01593683
    • Inchi: 1S/C6H8N2O2S/c9-2-1-4-3-7-6(11)8-5(4)10/h3,9H,1-2H2,(H2,7,8,10,11)
    • InChI Key: BHOFBQMOMPQKCN-UHFFFAOYSA-N
    • SMILES: S=C1NC=C(C(N1)=O)CCO

Computed Properties

  • Exact Mass: 172.03074
  • Monoisotopic Mass: 172.030648
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 93.4
  • XLogP3: -0.8

Experimental Properties

  • Density: 1.45±0.1 g/cm3 (20 oC 760 Torr),
  • Refractive Index: 1.658
  • Solubility: Slightly soluble (9.1 g/l) (25 o C),
  • PSA: 61.36
  • LogP: -0.03270

5-(2-hydroxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Pricemore >>

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