3-Chloro-tetrahydro-thiophene 1,1-dioxide 3-氯-四氢-噻吩1,1-二氧化物
CAS 3844-04-0 MFCD00154885
化学结构图
SMILES: O=S1(=O)CCC(Cl)C1
化学属性
| Mol. Formula | C4H7ClO2S |
|---|---|
| Mol. Weight | 154.61518 |
| Melting Point | 60.5-61 °C |
| Boiling Point | 355.2±35.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Thiophene, tetrahydro-3-chloro-, 1,1-dioxide3-Chloro-tetrahydro-thiophene |
|---|---|
| Synonym | 3-Chloro-tetrahydro-thiophene 1,1-dioxide {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-tetrahydro-thioph |
| InChIKey | SEZJAAIKYHZWCH-UHFFFAOYSA-N |
| Wiswesser Line Notation | T5SWTJ CG |
| Beilstein Registry Number | 1281349 |
| CAS Number | 3844-04-0 |
| Chemical Name Translation | 3-氯-四氢-噻吩1,1-二氧化物 |
| PubChem Substance ID | 199211 |
| InChI | InChI=1S/C4H7ClO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2 |
| Canonical SMILES | O=S(CC1Cl)(CC1)=O |
| MDL Number | MFCD00154885 |
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分类
- {uni_hamburg} no charge; sulfur heterocycle; alicycle; 5ring; sulfone; racemate; 1fragment
相关文献及参考
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 119,423,1959
