Dithiophosgene
Basic information
- CAS
20464-23-7- Standard SMILES
ClC1(Cl)SC(Cl)(Cl)S1- InChIKey
QIULAHZFLGCCFQ-UHFFFAOYSA-N- Molecular formula
- C2Cl4S2
- Average molar mass
- 230 g/mol
- Monoisotopic mass
- 227.819553
Overview
dimeric thiophosgene; inactivates cathepsin D; structure
Names & identifiers
- Preferred name
- Dithiophosgene
- IUPAC
- 2,2,4,4-tetrachloro-1,3-dithietane
Names & synonyms
20464-23-7Dithiophosgene2,2,4,4-Tetrachloro-1,3-dithiacyclobutaneRefChem:1352082,2,4,4-tetrachloro-1,3-dithietanetetrachloro-1,3-dithietaneDTXSID40942637SBB0975171,3-Dithietane,2,2,4,4-tetrachloro-2,2,4,4-Tetrachlor-1,3-dithiacyclobutanAB-131/25126075
Database identifiers
- CAS
20464-23-7- PubChem CID
- 123389
- DTXSID
DTXSID40942637
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.6
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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