CSCl2
thiophosgene · thiocarbonyl chloride
Thiophosgene is a reactive, semiconducting organosulfur compound primarily utilized as a synthetic reagent for introducing thiocarbonyl groups.
About thiophosgene
Thiophosgene is a highly reactive organosulfur compound characterized by its semiconducting electronic nature. Due to its chemical structure, it serves as a versatile building block in organic synthesis, particularly for the introduction of the thiocarbonyl group into various molecular frameworks.
While it is a significant reagent in laboratory settings, it is noted for being thermodynamically unstable relative to its decomposition products. Despite this, its utility in synthetic chemistry remains high, and it is frequently documented across multiple structural databases due to its distinct bonding configuration.
Key Properties
Cross-validated computational properties for thiophosgene, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where thiophosgene is used.
Frequently Asked Questions
Common questions about thiophosgene, answered from cross-validated data.
What is CSCl2?
Thiophosgene is a reactive, semiconducting organosulfur compound primarily utilized as a synthetic reagent for introducing thiocarbonyl groups.
What is CSCl2 used for?
What is the band gap of CSCl2?
Is CSCl2 a metal, semiconductor, or insulator?
Is CSCl2 thermodynamically stable?
How many polymorphs of CSCl2 are known?
What elements does CSCl2 contain?
Where does the data for CSCl2 come from?
How It Compares
As a specialized organic reagent, this compound occupies a unique niche in chemical synthesis. Unlike more stable inorganic solids, its reactivity profile is driven by its tendency to participate in rapid substitution reactions, making it a distinct entity compared to more inert, thermodynamically stable materials.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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