Cas no 5967-55-5 ((5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)

(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure
5967-55-5 structure
Product Name:(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS No:5967-55-5
MF:C13H26BrNO6
MW:372.252644062042
CID:1616657
PubChem ID:90478736
Update Time:2025-04-21

(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione Chemical and Physical Properties

Names and Identifiers

    • (5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
    • 5967-55-5
    • 2-Butenoic acid, 2-methyl-, 6,7-dihydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide, dihydrate, (1alpha,3beta(E),5alpha,6alpha,7alpha)-
    • 6,7-Dihydroxy-3-tigloyloxytropane, hydrobromide dihydrate
    • UNII-BD67DG9C5K
    • 2-BUTENOIC ACID, 2-METHYL-, 6,7-DIHYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, HYDROBROMIDE, DIHYDRATE, (1.ALPHA.,3.BETA.(E),5.ALPHA.,6.ALPHA.,7.ALPHA.)-
    • Meteloidine hydrobromide dihydrate [MI]
    • BD67DG9C5K
    • Q27274598
    • Meteloidine hydrobromide dihydrate
    • 6,7-Dihydroxytropine 3-tiglic acid ester, hydrobromide dihydrate
    • Inchi： 1S/C13H21NO4.BrH.2H2O/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3;;;/h4,8-12,15-16H,5-6H2,1-3H3;1H;2*1H2/b7-4+;;;/t8?,9-,10+,11-,12+;;;
    • InChI Key： FPRLOVMYTFNVFQ-YLSRTACASA-N
    • SMILES： Br.O[C@@H]1[C@@H]([C@H]2CC(C[C@@H]1N2C)OC(/C(=C/C)/C)=O)O.O.O

Computed Properties

  • Exact Mass: 288.05696
  • Monoisotopic Mass: 371.09435g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 350
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 72?2

Experimental Properties

  • PSA: 62.55

(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione Related Literature

Related Categories

5967-55-5 ((5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) Related Products

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