dipotassium trithiocarbonate
- Iupac Name：carbonotrithioic acid
- CAS No.: 584-10-1
- Molecular Weight：110.22158
- Modify Date.: 2022-10-26 20:56
1. Names and Identifiers
- 1.1 Name
- dipotassium trithiocarbonate
- 1.2 Synonyms
Carbonic acid, trithio-, dipotassium salt Carbonotrithioic acid, dipotassium salt dipotassium trithiocarbonate Kaliumtrithiocarbonat Potassium Tetraiodocadmate potassium thiocarbonate Potassium thiocarbonate (K2CS3) potassium thioxanthate Potassium trithiocarbonate Trithiocarbonic acid dipotassium salt trithiocarbonic acid,dipotassium-compound Trithiokohlensaeure,Dikalium-Verbindung
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- 1.3 CAS No.
- 584-10-1
- 1.4 CID
- 68982
- 1.5 EINECS(EC#)
- 209-531-4
- 1.6 Molecular Formula
- CH2S3 (isomer)
- 1.7 Inchi
- InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
- 1.8 InChIkey
- HIZCIEIDIFGZSS-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C(=S)(S)S
- 1.10 Isomers Smiles
- C(=S)(S)S
2. Properties
- 2.1 Density
- 1.41
- 2.1 Boiling point
- 57.8°Cat760mmHg
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 148.89600
- 2.1 PSA
- 109.69000
- 2.1 logP
- 1.13090
- 2.1 Chemical Properties
- large, water clear, somewhat distorted octahedra; deliquescent; turns yellow when aging due to release of I2 [MER06] dipotassium trithiocarbonate Supplier
- 2.2 Water Solubility
- 1 part w/w dissolves at 15°C, in: 0.73 parts H2O, 1.4 parts alcohol; 24.5 parts ether; 4.5 parts of a 1:1 mixture of ether and alcohol; soluble ethyl acetate [MER06]
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
584-10-1Total: 9 Synthesis Route
7. Computational chemical data
- Molecular Weight: 110.22158g/mol
- Molecular Formula: CH2S3
- Compound Is Canonicalized: True
- XLogP3-AA: 1.5
- Exact Mass: 109.93186358
- Monoisotopic Mass: 109.93186358
- Complexity: 26.3
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 34.1
- Heavy Atom Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcQAAAABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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