Cas no 50593-91-4 (methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate)

methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate structure
50593-91-4 structure
Product Name:methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate
CAS No:50593-91-4
MF:C7H7BrN2O2S
MW:263.111679315567
MDL:MFCD05664428
CID:830407
PubChem ID:2794729
Update Time:2025-04-19

methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate
    • Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate
    • Methyl5-Bromo-2-(methylthio)-4-pyrimidinecarboxylate
    • methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
    • methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate
    • METHYL 5-BROMO-2-(METHYLTHIO)-4-PYRIMIDINECARBOXYLATE
    • C7H7BrN2O2S
    • MYZJIEWTRJTWCD-UHFFFAOYSA-N
    • SBB102626
    • RP14808
    • FCH1376783
    • PB24885
    • TRA0057963
    • AKOS005071935
    • J-522442
    • BB-0729
    • DTXSID90383359
    • Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate,97
    • 5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid methyl ester
    • Methyl-5-bromo-2-(methylthio)pyrimidine-4-carboxylate
    • SCHEMBL628538
    • Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate, AldrichCPR
    • CS-W003245
    • 50593-91-4
    • DB-071227
    • 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid methyl ester
    • SY007065
    • MFCD05664428
    • MDL: MFCD05664428
    • Inchi: 1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
    • InChI Key: MYZJIEWTRJTWCD-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(N=C1C(=O)OC)SC

Computed Properties

  • Exact Mass: 261.94100
  • Monoisotopic Mass: 261.941
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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: 77.4
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: No data available
  • Density: 1.69±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 67 °C
  • Boiling Point: 348.7±22.0 °C at 760 mmHg
  • Flash Point: 164.7±22.3 °C
  • Solubility: Very slightly soluble (0.42 g/l) (25 o C),
  • Water Partition Coefficient: Slightly soluble in water (0.42 g/L).
  • PSA: 77.38000
  • LogP: 1.74760

methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate Security Information

  • Signal Word:Warning
  • Hazard Statement: H317
  • Warning Statement: P261-P280
  • Hazard Category Code: R43
  • Safety Instruction: S36/37
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:Sealed in dry,Room Temperature

methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate 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%

methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate Pricemore >>

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methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate Production Method

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