Cas no 103875-37-2 (Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI))

Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI) structure
103875-37-2 structure
Product Name:Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI)
CAS No:103875-37-2
MF:C22H24Cl2N2S2Ti
MW:499.342361450195
CID:152638
PubChem ID:175954
Update Time:2025-04-19

Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI) Chemical and Physical Properties

Names and Identifiers

    • Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI)
    • 4-aminobenzenethiolate,cyclopenta-1,3-diene,titanium(4+),dihydrochloride
    • titanocene bis(4-aminothiophenolate)
    • AC1L41U2
    • TBATP
    • titanium(4+) 4-aminobenzenethiolate cyclopenta-2,4-dienide hydrochloride (1:2:2:2)
    • Titanium, bis(4-aminobenzenethiolato-S)bis(eta5-2,4-cyclopentadien-1-yl)-, dihydrochloride
    • Titanocene bis(para-aminothiophenolate) di-hcl
    • 4-aminobenzenethiolate;cyclopenta-1,3-diene;titanium(4+);dihydrochloride
    • 103875-37-2
    • DTXSID60146115
    • Inchi: 1S/2C6H7NS.2C5H5.2ClH.Ti/c2*7-5-1-3-6(8)4-2-5;2*1-2-4-5-3-1;;;/h2*1-4,8H,7H2;2*1-5H;2*1H;/q;;2*-1;;;+4/p-2
    • InChI Key: UXXQKLCKXLHHPV-UHFFFAOYSA-L
    • SMILES: [Ti+4].Cl.Cl.[S-]C1C=CC(=CC=1)N.[S-]C1C=CC(=CC=1)N.[CH-]1C=CC=C1.[CH-]1C=CC=C1

Computed Properties

  • Exact Mass: 494.01306
  • Monoisotopic Mass: 498.023743
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 0
  • Complexity: 78.5
  • Covalently-Bonded Unit Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 54

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 262.3°Cat760mmHg
  • Flash Point: 112.4°C
  • PSA: 52.04
  • LogP: 7.74900

Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI) Related Literature

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