Titanium Disulfide - ≥99.95% metals basis, powder , CAS No.12039-13-3

CAS: 12039-13-3 Cat. No.: T1492920 分子式: S₂Ti 分子量: 112 EC番号: 234-883-0 PubChem CID: 61544

GRADE & PURITY ≥99.95% metals basis, powder

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Specifications

仕様と純度

≥99.95% metals basis, powder

保管条件

Room temperature,Argon charged,Desiccated

入荷

FedEx DG Service

純度

≥99.95% metals basis

名前と識別子

• カノニカル・スマイル: S=[Ti]=S
• IUPAC Name: bis(sulfanylidene)titanium
• InChIKey: CFJRPNFOLVDFMJ-UHFFFAOYSA-N
• INCHI: 1S/2S.Ti
• 異性体SMILES: S=[Ti]=S
• PubChem CID: 61544
• UN番号: 3174
• 包装グループ: III
• 分子量: 112

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • 分類 Transition metal organides
      • Subclass Transition metal sulfides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• 分類: Transition metal organides
• Subclass: Transition metal sulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Transition metal sulfides
• Alternative Parents: Inorganic sulfides Inorganic salts
• Molecular Framework: Not available
• Substituents: Transition metal sulfide - Inorganic sulfide - Inorganic salt
• 説明: This compound belongs to the class of inorganic compounds known as transition metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: insoluble in water and moderately acid soluble.
• 感度: Moisture sensitive
• 分子量: 112.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.892 Da
• Monoisotopic Mass: 111.892 Da
• Topological Polar Surface Area: 64.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 18.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

参考文献

1. Chongyang Zhou, Han Sun, Qian Wang, Jakob B. Grinderslev, Dan Liu, Yigang Yan, Torben R. Jensen.  (2022)  Highly electrochemically stable Li2B12H12-Al2O3 nanocomposite electrolyte enabling A 3.8 V room-temperature all-solid-state Li-ion battery.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2022.168689]

2. Mengyuan Jin, Zhuo Yang, Sheng Cheng, Yanhui Guo.  (2022)  Fast Sodium-Ion Conduction in a Novel Conjuncto-Hydroborate of Na4B20H18.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.2c03166]

3. Zhao Li-Ping, Liu Gang, Zhang Peng, Sun Li-Qun, Cong Li-Na, Lu Wei, Sun Qi-Qi, Xie Hai-Ming, Wang Hong-Yu.  (2019)  TiS2 as negative electrode material for sodium-ion supercapattery.  CHEMICAL PAPERS,  73  (10): (2583-2589).  [PMID:] [10.1007/s11696-019-00812-y]

4. Zhen Chen, Yan Wang, Zebing Ning, Qi Huang, Jia Zhou, Faquan Yu.  (2024)  Conjugated Microporous Polymer/TiS2 Composite Cathode for High-Performance Lithium-Rechargeable Batteries.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02203]

5. Zhongliang Ma, Jiahe Zang, Wenqiang Hu, Qisen Wang, Zhonghui Sun, Fang Fang, Yun Song, Dalin Sun.  (2024)  From Back to Stage: Superior Cycling Stability of 2LiBH4−MgH2 Enabled by Anion Tuning.  Advanced Energy Materials,  14  (25): (2401156).  [PMID:] [10.1002/aenm.202401156]

6. Liyang Zhou, Aixue Bi, Xu Yang, Feng Xue, Shengui Ju.  (2025)  Construction of S-doped H2TiO3-Ferrite magnetic ion sieve for improved extracting lithium.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.137354]

7. Rui-Hua Chen, Suniya Siddique, Hua-Jing Zhang, Ning Chen, Zhuo-Ming Xu, Zi-Long Zhang, Yue-Xing Chen, Zhuang-Hao Zheng, Fu Li.  (2025)  Synergistic tuning of electrical and thermal transport properties in Bi2SeS2 thermoelectric material via Ti/Cu co-doping.  JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,  46  (6): (118066).  [PMID:] [10.1016/j.jeurceramsoc.2025.118066]