Cas no 945-12-0 (3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid)

3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid structure
945-12-0 structure
Product Name:3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid
CAS No:945-12-0
MF:C8H10N2O3S
MW:214.241600513458
MDL:MFCD08444291
CID:1001019
PubChem ID:687902
Update Time:2025-04-20

3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid
    • 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
    • 3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid
    • NSC-159704
    • AKOS001279890
    • SR-01000506242-1
    • 945-12-0
    • 3-(2-mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
    • XXPAJXVOQAZZJC-UHFFFAOYSA-N
    • AKOS016341056
    • Propionic acid, 3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-
    • EN300-24536
    • NSC159704
    • SR-01000506242
    • AB00982612-01
    • DTXSID30350767
    • 3-(6-METHYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)PROPANOIC ACID
    • BB 0219868
    • EU-0080706
    • Z203038586
    • CCG-22255
    • AKOS005690503
    • 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydro-p yrimidin-5-yl)-propionic acid
    • STL036867
    • STK770290
    • 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoic acid
    • MDL： MFCD08444291
    • Inchi： 1S/C8H10N2O3S/c1-4-5(2-3-6(11)12)7(13)10-8(14)9-4/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14)
    • InChI Key： XXPAJXVOQAZZJC-UHFFFAOYSA-N
    • SMILES： S=C1NC(C(=C(C)N1)CCC(=O)O)=O

Computed Properties

  • Exact Mass: 214.04100
  • Monoisotopic Mass: 214.041213
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 336
  • 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: 111
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.44
  • Boiling Point: 481.7°C at 760 mmHg
  • Flash Point: 245.1°C
  • Refractive Index: 1.63
  • PSA: 118.04000
  • LogP: 0.75810

3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid Pricemore >>

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