Trimethylsulfoxonium iodide
Trimethylsulfoxonium iodide structure
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Common Name | Trimethylsulfoxonium iodide | ||
|---|---|---|---|---|
| CAS Number | 1774-47-6 | Molecular Weight | 220.072 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C3H9IOS | Melting Point | 208-212 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | N/A | |
Summary: Trimethylsulfoxonium iodide (CAS number: 1774-47-6) is a white to yellow crystalline substance with molecular formula C3H9IOS and molecular weight 220.072.主要用于合成氟康唑。 For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Trimethylsulfoxonium iodide |
|---|---|
| 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.
| Melting Point | 208-212 °C (dec.)(lit.) |
|---|---|
| Molecular Formula | C3H9IOS |
| Molecular Weight | 220.072 |
| Exact Mass | 219.941864 |
| PSA | 36.28000 |
| InChIKey | BPLKQGGAXWRFOE-UHFFFAOYSA-M |
| SMILES | C[S+](C)(C)=O.[I-] |
| Water Solubility | 15 g/L (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | WS3585000 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~61%
Trimethylsulfox... CAS#:1774-47-6 |
| Literature: Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China; Li, Yunfeng; Yang, Rifang; Zhang, Youzhi; Li, Yongzhen; Jin, Zengliang; Li, Peng; Yuan, Li; Yun, Liuhong; Zhao, Nan; Zhang, Cheng; Xu, Xiaodan; Zhao, Rusheng; Chen, Hongxia; Xue, Rui; Qin, Juanjuan; Wang, Zhenzhen; Yao, Jiazhi Patent: US2013/231369 A1, 2013 ; Location in patent: Paragraph 0102 ; |
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Detail
Learn More
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| Literature: Carbohydrate research, , vol. 127, # 1 p. 59 - 73 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 10 | |
![2-[4-(trifluoromethoxy)phenyl]oxirane structure](https://image.chemsrc.com/caspic/162/111991-17-4.png)
CAS#:111991-17-4
CAS#:108420-15-1![2-[3,5-bis(trifluoromethyl)phenyl]oxirane structure](https://image.chemsrc.com/caspic/053/109086-18-2.png)
CAS#:109086-18-2
CAS#:32017-76-8
CAS#:710-43-0
CAS#:3999-55-1![2-[3-(Trifluoromethyl)phenyl]oxirane structure](https://image.chemsrc.com/caspic/268/1428-54-2.png)
CAS#:1428-54-2
CAS#:14417-01-7
CAS#:4437-85-8
CAS#:918-05-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2909199090 |
|---|---|
| Summary | 2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Optical phonons, crystal-field transitions, and europium luminescence-excitation processes in Eu2BaCoO5: Experiment and theory.
Tetrahedron 50 , 9157, (1994)
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Renin inhibitors containing C-termini derived from mercaptoheterocycles.
J. Med. Chem. 35 , 2103, (1992) A series of transition-state analogues having heterocyclythio C-termini has been synthesized and evaluated for inhibition of human renin. Addition of mercaptoheterocycles to a chiral Boc-amino epoxide... |
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Tetrahedron 49 , 5067, (1993)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Trimethyl sulphoxonium ioidie |
| OS1&1&1 &&iodide |
| Trimethylsulfoxonium Iodide |
| Trimethyloxosulfonium iodide |
| trimethyl-oxo-sulfonium iodide |
| trimethyloxosulphonium iodide |
| MFCD00011899 |
| trimethyl sulphoxonium iodide |
| dimethyloxosulfonium methylide |
| Corey-Chaykovsky reagent |
| EINECS 217-204-2 |
| S,S,S-Trimethylsulfoxonium iodide |
| Sulfoxonium,trimethyl-,iodide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Trimethylsulfoxonium iodide? |
| A: InChIKey of Trimethylsulfoxonium iodide is BPLKQGGAXWRFOE-UHFFFAOYSA-M. |
| Q: What are the upstream materials of Trimethylsulfoxonium iodide? |
| A: Related upstream materials(CAS) of Trimethylsulfoxonium iodide: 67-68-5;74-88-4;108-24-7;61272-23-9. |
| Q: What is the safety information for Trimethylsulfoxonium iodide? |
| A: Safety information for Trimethylsulfoxonium iodide: S37/39-S26. |
| Q: What is the polar surface area (PSA) of Trimethylsulfoxonium iodide? |
| A: Polar surface area (PSA) of Trimethylsulfoxonium iodide is 36.28000. |
| Q: What is the molecular formula of Trimethylsulfoxonium iodide? |
| A: Molecular formula of Trimethylsulfoxonium iodide is C3H9IOS. |
| Q: How is the water solubility of Trimethylsulfoxonium iodide? |
| A: Water solubility of Trimethylsulfoxonium iodide: 15 g/L (20 ºC). |
| Q: What is the SMILES notation of Trimethylsulfoxonium iodide? |
| A: SMILES notation of Trimethylsulfoxonium iodide is C[S+](C)(C)=O.[I-]. |
| Q: What is the English name of Trimethylsulfoxonium iodide? |
| A: The English name of Trimethylsulfoxonium iodide is Trimethylsulfoxonium iodide. |
| Q: What are the downstream products of Trimethylsulfoxonium iodide? |
| A: Related downstream products(CAS) of Trimethylsulfoxonium iodide: 111991-17-4;108420-15-1;109086-18-2;32017-76-8;710-43-0;3999-55-1;1428-54-2;14417-01-7;4437-85-8;918-05-8. |
| Q: What English synonyms does Trimethylsulfoxonium iodide have? |
| A: English synonyms of Trimethylsulfoxonium iodide: Trimethyl sulphoxonium ioidie, OS1&1&1 &&iodide, Trimethylsulfoxonium Iodide, Trimethyloxosulfonium iodide, trimethyl-oxo-sulfonium iodide, trimethyloxosulphonium iodide, MFCD00011899, trimethyl sulphoxonium iodide, dimethyloxosulfonium methylide, Corey-Chaykovsky reagent, EINECS 217-204-2, S,S,S-Trimethylsulfoxonium iodide, Sulfoxonium,trimethyl-,iodide. |
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. |
| Henan Tianfu Chemical Co., Ltd. |