3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE
3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE structure
|
Common Name | 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE | ||
|---|---|---|---|---|
| CAS Number | 55727-23-6 | Molecular Weight | 216.32000 | |
| Density | 1.239g/cm3 | Boiling Point | 387.2ºC at 760 mmHg | |
| Molecular Formula | C9H12O2S2 | Melting Point | 101.0 to 105.0 °C | |
| MSDS | N/A | Flash Point | 175.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(1,3-dithian-2-ylidene)pentane-2,4-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 | 1.239g/cm3 |
|---|---|
| Boiling Point | 387.2ºC at 760 mmHg |
| Melting Point | 101.0 to 105.0 °C |
| Molecular Formula | C9H12O2S2 |
| Molecular Weight | 216.32000 |
| Flash Point | 175.7ºC |
| Exact Mass | 216.02800 |
| PSA | 84.74000 |
| LogP | 2.24610 |
| Index of Refraction | 1.573 |
| InChIKey | PGPIRMKKHQOWIK-UHFFFAOYSA-N |
| SMILES | CC(=O)C(C(C)=O)=C1SCCCS1 |
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.
| HS Code | 2934999090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~99%
3-(1,3-DITHIAN-... CAS#:55727-23-6 |
| Literature: Yu, Haifeng; Liu, Qun; Yin, Yanbing; Fang, Qunxin; Zhang, Jingping; Dong, Dewen Synlett, 2004 , # 6 p. 999 - 1002 |
|
~73%
3-(1,3-DITHIAN-... CAS#:55727-23-6 |
| Literature: Dong, Dewen; Liu, Yingchun; Zhao, Yulong; Qi, Yimei; Wang, Zhuo; Liu, Qun Synthesis, 2005 , # 1 art. no. F09904SS, p. 85 - 91 |
|
~67%
3-(1,3-DITHIAN-... CAS#:55727-23-6 |
| Literature: Dong, Dewen; Liu, Yingchun; Zhao, Yulong; Qi, Yimei; Wang, Zhuo; Liu, Qun Synthesis, 2005 , # 1 art. no. F09904SS, p. 85 - 91 |
|
~%
3-(1,3-DITHIAN-... CAS#:55727-23-6 |
| Literature: Journal of Organic Chemistry, , vol. 73, # 19 p. 7625 - 7630 |
|
~0%
Detail
Learn More
|
| Literature: Liu, Qun; Che, Guangbo; Yu, Haifeng; Liu, Yingchun; Zhang, Jingping; Zhang, Qian; Dong, Dewen Journal of Organic Chemistry, 2003 , vol. 68, # 23 p. 9148 - 9150 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:10359-09-8
CAS#:5425-44-5![1,5-Dithiaspiro[5.5]undecane structure](https://image.chemsrc.com/caspic/197/180-96-1.png)
CAS#:180-96-1
CAS#:201008-67-5
CAS#:201008-69-7
CAS#:54593-26-9
CAS#:100596-16-5
CAS#:31593-52-9
CAS#:150237-23-3
CAS#:155853-28-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD01096981 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: LogP of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is 2.24610. |
| Q: What is the polar surface area (PSA) of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: Polar surface area (PSA) of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is 84.74000. |
| Q: What is the melting point of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: Melting point of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is 101.0 to 105.0 °C. |
| Q: What English synonyms does 3-(1,3-dithian-2-ylidene)pentane-2,4-dione have? |
| A: English synonyms of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione: MFCD01096981. |
| Q: What are the upstream materials of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: Related upstream materials(CAS) of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione: 75-15-0;109-64-8;123-54-6;845776-96-7;628300-14-1;67-56-1;555-16-8. |
| Q: What is the boiling point of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: Boiling point of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is 387.2ºC at 760 mmHg. |
| Q: What are the downstream products of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: Related downstream products(CAS) of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione: 10359-09-8;5425-44-5;180-96-1;201008-67-5;201008-69-7;54593-26-9;100596-16-5;31593-52-9;150237-23-3;155853-28-4. |
| Q: What is the SMILES notation of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: SMILES notation of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is CC(=O)C(C(C)=O)=C1SCCCS1. |
| Q: What is the InChIKey of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: InChIKey of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is PGPIRMKKHQOWIK-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione? |
| A: Molecular formula of 3-(1,3-dithian-2-ylidene)pentane-2,4-dione is C9H12O2S2. |
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. |