Cas no 1094070-50-4 (methyl 5-nitroisothiazole-3-carboxylate)

methyl 5-nitroisothiazole-3-carboxylate structure
1094070-50-4 structure
Product Name:methyl 5-nitroisothiazole-3-carboxylate
CAS No:1094070-50-4
MF:C5H4N2O4S
MW:188.161259651184
MDL:MFCD26143090
CID:2109548
PubChem ID:59503716
Update Time:2025-09-23

methyl 5-nitroisothiazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 5-nitroisothiazole-3-carboxylate
    • 1094070-50-4
    • AT33594
    • DA-32284
    • 3-Isothiazolecarboxylic acid, 5-nitro-, methyl ester
    • Methyl5-nitroisothiazole-3-carboxylate
    • SCHEMBL13155409
    • methyl 5-nitro-1,2-thiazole-3-carboxylate
    • MDL： MFCD26143090
    • Inchi： 1S/C5H4N2O4S/c1-11-5(8)3-2-4(7(9)10)12-6-3/h2H,1H3
    • InChI Key： LMTYPWFGSWSHFB-UHFFFAOYSA-N
    • SMILES： S1C(=CC(C(=O)OC)=N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 187.98917779Da
  • Monoisotopic Mass: 187.98917779Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 204
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 113?2

methyl 5-nitroisothiazole-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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 1094070-50-4 97%
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 1094070-50-4 97%
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 1094070-50-4 95%
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 1094070-50-4 95%
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 1094070-50-4 95%
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 1094070-50-4 95%
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