Cas no 103875-37-2 (Titanium,bis(4-aminobenzenethiolato-S)bis(h5-2,4-cyclopentadien-1-yl)-, dihydrochloride (9CI))
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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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