Cas no 100130-05-0 (5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid)

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid structure
100130-05-0 structure
Product Name:5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
CAS No:100130-05-0
MF:C6H7N3O2S
MW:185.203679323196
MDL:MFCD12407810
CID:98166
PubChem ID:15341443
Update Time:2025-04-18

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-2-(methylthio)pyrimidine-4-carboxylic acid
    • 4-Pyrimidinecarboxylicacid, 5-amino-2-(methylthio)-
    • 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
    • 5-Amino-2-(methylthio)
    • 5-aMino-2-(Methylthio)pyriMidine-4-carboxylic
    • 5-Amino-2-(methylthio)-4-pyrimidinecarboxylic acid
    • 5-aMino-2-(Methylsulfanyl)pyriMidine-4-carboxylic acid
    • 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
    • TRA0055394
    • MB11944
    • WT82475
    • RP24530
    • FCH1157109
    • SY011532
    • EN00
    • SCHEMBL6989833
    • 5-amino-2-methylsulfanyl-pyrimidine-4-carboxylic acid;5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid
    • J-516670
    • FT-0645688
    • 5-Amino-2-(methylthio)pyrimidine-4-carboxylicAcid
    • CS-W009057
    • C6H7N3O2S
    • 100130-05-0
    • DTXSID60571746
    • AMY16193
    • AKOS015854561
    • MFCD12407810
    • DS-11232
    • 4-Pyrimidinecarboxylicacid,5-amino-2-(methylthio)-
    • EN300-122813
    • A800052
    • DB-014546
    • 5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
    • MDL： MFCD12407810
    • Inchi： 1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
    • InChI Key： NTEPDMJNOBYJHJ-UHFFFAOYSA-N
    • SMILES： S(C)C1=NC=C(C(C(=O)O)=N1)N

Computed Properties

  • Exact Mass: 185.02600
  • Monoisotopic Mass: 185.02589765g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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: 114
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.53±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 190-191.5 °C (decomposition)
  • Boiling Point: 434.9°C at 760 mmHg
  • Flash Point: 216.864℃
  • Refractive Index: 1.668
  • Solubility: Very slightly soluble (0.61 g/l) (25 o C),
  • PSA: 114.40000
  • LogP: 1.06010

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Security Information

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic 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%

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5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Production Method

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Related Literature

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