Cas no 1428630-33-4 (2-Oxazolidinone, 5-[(methylthio)methyl]-3-[(E)-[(5-nitro-2-furanyl)methylene]amino]-)

2-Oxazolidinone, 5-[(methylthio)methyl]-3-[(E)-[(5-nitro-2-furanyl)methylene]amino]- structure
1428630-33-4 structure
Product Name:2-Oxazolidinone, 5-[(methylthio)methyl]-3-[(E)-[(5-nitro-2-furanyl)methylene]amino]-
CAS No:1428630-33-4
MF:C10H11N3O5S
MW:285.276440858841
CID:5731734
Update Time:2023-10-31

2-Oxazolidinone, 5-[(methylthio)methyl]-3-[(E)-[(5-nitro-2-furanyl)methylene]amino]- Chemical and Physical Properties

Names and Identifiers

    • 2-Oxazolidinone, 5-[(methylthio)methyl]-3-[(E)-[(5-nitro-2-furanyl)methylene]amino]-
    • MDL: MFCD00057257
    • Inchi: 1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
    • InChI Key: SRQKTCXJCCHINN-NYYWCZLTSA-N
    • SMILES: O1C(CSC)CN(/N=C/C2=CC=C([N+]([O-])=O)O2)C1=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5

Experimental Properties

  • Density: 1.57±0.1 g/cm3(Predicted)
  • Boiling Point: 423.6±53.0 °C(Predicted)
  • pka: -2.49±0.40(Predicted)
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