Cas no 208038-89-5 (Benzenamine,3-nitro-5-(phenylthio)-)

Benzenamine,3-nitro-5-(phenylthio)- structure
208038-89-5 structure
Product Name:Benzenamine,3-nitro-5-(phenylthio)-
CAS No:208038-89-5
MF:C12H10N2O2S
MW:246.285001277924
CID:241963
PubChem ID:700475
Update Time:2025-04-19

Benzenamine,3-nitro-5-(phenylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,3-nitro-5-(phenylthio)-
    • 3-NITRO-5-(PHENYLTHIO)-BENZENAMINE
    • 3-nitro-5-phenylsulfanylaniline
    • 001241
    • 3-nitro-5-(phenylsulfanyl)aniline
    • 3-Nitro-5-(phenylthio)aniline
    • 3-nitro-5-phenylthiophenylamine
    • AC1LDSXV
    • AG-205
    • CTK4E5165
    • MolPort-000-883-933
    • ZERO
    • 3-nitro-5-(phenylthio)benzenamine
    • Benzenamine, 3-nitro-5-(phenylthio)-
    • SR-01000525558
    • 3-nitro-5-(phenyl-thio)aniline
    • FT-0616226
    • 208038-89-5
    • AKOS000280883
    • AG-205/25011069
    • DTXSID00351443
    • EU-0018667
    • SR-01000525558-1
    • CS-0320708
    • Inchi： 1S/C12H10N2O2S/c13-9-6-10(14(15)16)8-12(7-9)17-11-4-2-1-3-5-11/h1-8H,13H2
    • InChI Key： JYUWIOFDMMGBQI-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1)C1=CC(=CC(=C1)[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 246.0464
  • Monoisotopic Mass: 246.04629874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 264
  • 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: 3.1
  • Topological Polar Surface Area: 97.1?2

Experimental Properties

  • Density: 1.37
  • Boiling Point: 464.1°C at 760 mmHg
  • Flash Point: 234.5°C
  • Refractive Index: 1.696
  • PSA: 69.16

Benzenamine,3-nitro-5-(phenylthio)- Related Literature

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