Cas no 6601-00-9 (1,3-bis(3-methoxyphenyl)thiourea)

1,3-Bis(3-methoxyphenyl)thiourea is a thiourea derivative featuring methoxyphenyl substituents at the 1 and 3 positions. This compound is of interest in organic synthesis and coordination chemistry due to its ability to act as a ligand, forming stable complexes with transition metals. The methoxy groups enhance solubility in organic solvents, facilitating its use in homogeneous reaction systems. Its thiourea moiety provides strong hydrogen-bonding capabilities, making it useful in molecular recognition and supramolecular chemistry applications. The compound’s structural rigidity and electron-donating properties also contribute to its utility in the development of advanced materials and catalysts. High purity grades are available for research and industrial applications.
1,3-bis(3-methoxyphenyl)thiourea structure
6601-00-9 structure
Product Name:1,3-bis(3-methoxyphenyl)thiourea
CAS No:6601-00-9
MF:C15H16N2O2S
MW:288.364742279053
CID:962970
PubChem ID:2824042
Update Time:2025-06-09

1,3-bis(3-methoxyphenyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • 1,3-bis(3-methoxyphenyl)thiourea
    • 1,3-bis(3-methoxyphenyl)-2-thiourea
    • 1,3-bis-(3-methoxy-phenyl)-thiourea
    • 1,3-di(3-methoxyphenyl)thiourea
    • AC1ME7PQ
    • CTK2F7234
    • N,N'-Bis-(3-methoxy-phenyl)-thioharnstoff
    • N,N'-bis-(3-methoxy-phenyl)-thiourea
    • N,N'-Bis-< 3-methoxy-phenyl> -thioharnstoff
    • N,N'-di(3-methoxyphenyl)thiourea
    • N-m-Anisoyl-thioharnstoff
    • NSC209018
    • Oprea1_268602
    • A913888
    • N,N'-bis(3-methoxyphenyl)thiourea
    • SCHEMBL3822948
    • DTXSID40384957
    • NSC-209018
    • CS-0363761
    • AKOS002272076
    • 6601-00-9
    • MDL: MFCD00123817
    • Inchi: 1S/C15H16N2O2S/c1-18-13-7-3-5-11(9-13)16-15(20)17-12-6-4-8-14(10-12)19-2/h3-10H,1-2H3,(H2,16,17,20)
    • InChI Key: QEAYQEGWKKNUSF-UHFFFAOYSA-N
    • SMILES: S=C(NC1C=CC=C(C=1)OC)NC1C=CC=C(C=1)OC

Computed Properties

  • Exact Mass: 288.09338
  • Monoisotopic Mass: 288.09324893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 286
  • 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
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 42.52
  • LogP: 3.65870

1,3-bis(3-methoxyphenyl)thiourea Pricemore >>

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