Cas no 102613-14-9 (5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one)

5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one structure
102613-14-9 structure
Product Name:5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one
CAS No:102613-14-9
MF:C8H10N2OS
MW:182.242800235748
MDL:MFCD01951136
CID:165854
PubChem ID:697213
Update Time:2025-04-19

5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone,2,3-dihydro-6-methyl-5-(2-propen-1-yl)-2-thioxo-
    • 5-ALLYL-2-MERCAPTO-6-METHYL-PYRIMIDIN-4-OL
    • 6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
    • 5-allyl-2-mercapto-6-methylpyrimidin-4(3H)-one
    • 5-Allyl-6-methyl-2-thiouracil
    • 5-allyl-6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
    • 6-methyl-5-(prop-2-en-1-yl)-2-sulfanylpyrimidin-4-ol
    • AC1LF3UU
    • ACMC-20f1gj
    • AG-D-12142
    • BRN 0129965
    • Uracil, 5-allyl-6-methyl-2-thio-
    • BUTTPARK 8\02-87
    • 5-ALLYL-4-HYDROXY-2-MERCAPTO-6-METHYLPYRIMIDINE
    • CS-0444730
    • 5-Allyl-6-methyl-2-sulfanyl-4-pyrimidinol #
    • 5-Allyl-2-mercapto-6-methylpyrimidin-4-ol
    • BRD-K54950429-001-01-7
    • IBWZVOPQOIWLAD-UHFFFAOYSA-N
    • CCG-835
    • 5-allyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
    • 102613-14-9
    • LS-01896
    • DTXSID60145380
    • 6-methyl-5-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
    • HMS1529J17
    • AKOS000273607
    • MFCD01951136
    • 2-Thio-4-methyl-5-allyl-6-oxypyrimidin
    • AKOS015868086
    • Maybridge4_003031
    • 4-24-00-01385 (Beilstein Handbook Reference)
    • NCGC00176286-01
    • 5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one
    • MDL: MFCD01951136
    • Inchi: 1S/C8H10N2OS/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3H,1,4H2,2H3,(H2,9,10,11,12)
    • InChI Key: IBWZVOPQOIWLAD-UHFFFAOYSA-N
    • SMILES: S=C1NC(C(CC=C)=C(C)N1)=O

Computed Properties

  • Exact Mass: 182.051384g/mol
  • Monoisotopic Mass: 182.051384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 281
  • 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
  • Molecular Weight: 182.25g/mol
  • XLogP3: 1.1
  • Topological Polar Surface Area: 73.2?2

5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

5-Allyl-2-mercapto-6-methylpyrimidin-4(3H)-one Pricemore >>

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