[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione
![[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione Structure](https://image.chemsrc.com/caspic/495/64394-45-2.png)
[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione structure
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Common Name | [1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione | ||
|---|---|---|---|---|
| CAS Number | 64394-45-2 | Molecular Weight | 208.30200 | |
| Density | 2.05 g/cm3 | Boiling Point | 393ºC at 760 mmHg | |
| Molecular Formula | C4O2S4 | Melting Point | 182ºC (dec.)(lit.) | |
| MSDS | N/A | Flash Point | 194.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,3,4,6-Tetrathiapentalene-2,5-Dione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 2.05 g/cm3 |
|---|---|
| Boiling Point | 393ºC at 760 mmHg |
| Melting Point | 182ºC (dec.)(lit.) |
| Molecular Formula | C4O2S4 |
| Molecular Weight | 208.30200 |
| Flash Point | 194.7ºC |
| Exact Mass | 207.87800 |
| PSA | 147.10000 |
| LogP | 1.80620 |
| Index of Refraction | 1.93 |
| InChIKey | XMQJUIFJLYEFQR-UHFFFAOYSA-N |
| SMILES | O=c1sc2sc(=O)sc2s1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | 26-27-36/37/39 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~64%
[1,3]Dithiolo[4... CAS#:64394-45-2 |
| Literature: Schumaker, R. R.; Lee, V. Y.; Engler, E. M. Journal of Organic Chemistry, 1984 , vol. 49, p. 564 - 566 |
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~76%
[1,3]Dithiolo[4... CAS#:64394-45-2 |
| Literature: Poleschner, H.; John, W.; Hoppe, F.; Fanghaenel, E. Journal fuer Praktische Chemie (Leipzig), 1983 , vol. 325, # 6 p. 957 - 975 |
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~33%
[1,3]Dithiolo[4... CAS#:64394-45-2 |
| Literature: Poleschner, H.; John, W.; Hoppe, F.; Fanghaenel, E. Journal fuer Praktische Chemie (Leipzig), 1983 , vol. 325, # 6 p. 957 - 975 |
![5-Thioxo[1,3]dithiolo[4,5-d]-1,3-dithiol-2-on structure](https://image.chemsrc.com/caspic/005/64433-03-0.png)
![[1,3]-Dithiolo[4,5-d]-1,3-dithiol-2,5-dithion structure](https://image.chemsrc.com/caspic/457/64394-46-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
CAS#:64394-47-4![2-[4,5-bis(trifluoromethyl)-1,3-dithiol-2-ylidene]-4,5-bis(trifluoromethyl)-1,3-dithiole structure](https://image.chemsrc.com/caspic/315/26393-26-0.png)
CAS#:26393-26-0![5-(4,5-bis(trifluoromethyl)-1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one structure](https://image.chemsrc.com/caspic/413/75342-06-2.png)
CAS#:75342-06-2
CAS#:71135-18-7
CAS#:55052-32-9![2-(5-oxo-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarbonitrile structure](https://image.chemsrc.com/caspic/062/67705-55-9.png)
CAS#:67705-55-9![2,2'-([1,3]dithiolo[4,5-d][1,3]dithiole-2,5-diylidene)bis(1,3-dithiole-4,5-dicarbonitrile) structure](https://image.chemsrc.com/caspic/014/67705-56-0.png)
CAS#:67705-56-0
CAS#:74962-29-1![4,5-Bis-(2-hydroxy-ethylsulfanyl)-[1,3]dithiol-2-one structure](https://image.chemsrc.com/caspic/413/128258-72-0.png)
CAS#:128258-72-0![[1,3]dithiolo[4,5-d][1,3,6]oxadithiepin-2-one structure](https://image.chemsrc.com/caspic/494/116341-76-5.png)
CAS#:116341-76-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Compound was evaluated for inhibitory activity against Candida albicans; 2-3.2
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL656475
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Name: Compound was evaluated for inhibitory activity against Saccharomyces cerevisiae; 2-3....
Source: ChEMBL
Target: Saccharomyces cerevisiae
External Id: CHEMBL803026
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00010403 |
| 1,3,4,6-tetrathiapentalene-2,5-dione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: Molecular formula of 1,3,4,6-Tetrathiapentalene-2,5-Dione is C4O2S4. |
| Q: What is the SMILES notation of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: SMILES notation of 1,3,4,6-Tetrathiapentalene-2,5-Dione is O=c1sc2sc(=O)sc2s1. |
| Q: What is the molecular weight of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: Molecular weight of 1,3,4,6-Tetrathiapentalene-2,5-Dione is 208.30200. |
| Q: What is the InChIKey of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: InChIKey of 1,3,4,6-Tetrathiapentalene-2,5-Dione is XMQJUIFJLYEFQR-UHFFFAOYSA-N. |
| Q: What is the boiling point of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: Boiling point of 1,3,4,6-Tetrathiapentalene-2,5-Dione is 393ºC at 760 mmHg. |
| Q: What is the LogP of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: LogP of 1,3,4,6-Tetrathiapentalene-2,5-Dione is 1.80620. |
| Q: What is the safety information for 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: Safety information for 1,3,4,6-Tetrathiapentalene-2,5-Dione: 26-27-36/37/39. |
| Q: What English synonyms does 1,3,4,6-Tetrathiapentalene-2,5-Dione have? |
| A: English synonyms of 1,3,4,6-Tetrathiapentalene-2,5-Dione: MFCD00010403, 1,3,4,6-tetrathiapentalene-2,5-dione. |
| Q: What is the English name of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: The English name of 1,3,4,6-Tetrathiapentalene-2,5-Dione is 1,3,4,6-Tetrathiapentalene-2,5-Dione. |
| Q: What is the CAS number of 1,3,4,6-Tetrathiapentalene-2,5-Dione? |
| A: CAS number of 1,3,4,6-Tetrathiapentalene-2,5-Dione is 64394-45-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |