Zirconium Sulfide - ≥99.9% metals basis, powder , CAS No.12039-15-5

CAS: 12039-15-5 Cat. No.: Z1492821 Molecular Weight: 155.35 PubChem CID: 82867

GRADE & PURITY ≥99.9% metals basis, powder

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥99.9% metals basis, powder

Storage

Room temperature

Shipped In

Normal

Purity

≥99.9% metals basis

Names and Identifiers

• Canonical Smiles: S=[Zr]=S
• IUPAC Name: bis(sulfanylidene)zirconium
• InChIKey: WVMYSOZCZHQCSG-UHFFFAOYSA-N
• INCHI: 1S/2S.Zr
• Isomeric SMILES: S=[Zr]=S
• PubChem CID: 82867
• Molecular Weight: 155.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 1550°C
• Molecular Weight: 155.360 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.849 Da
• Monoisotopic Mass: 153.849 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

References

1. 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]

2. Shuang Hong, Yun Cao, Jiangshan Qi, Chuannan Geng, Ruiqing Ye, Lingjing Wei, Yanyan Wang, Boya Zhang, Yu Long, Jiwei Shi, Li Wang, Chen Zhang, Wei Lv, Quan-Hong Yang.  (2026)  High-Valence-Cation-Induced Lattice Expansion for Activating Li2S Cathode in All-Solid-State Lithium-Sulfur Batteries.  ADVANCED MATERIALS,      [PMID:41656931] [10.1002/adma.72513]