3-Hydroxy-2,3-Dihydrothiophene 1,1-Dioxide 3-羟基-2,3-二氢噻吩-1,1-二氧化物

CAS 6211-59-2 MFCD06211592

化学结构图

6211-59-2
SMILES: O=S1(=O)C=CC(O)C1

化学属性

Mol. FormulaC4H6O3S
Mol. Weight134.15364

别名和识别编码

Synonym 2,3-Dihydrothiophene-3-ol 1,1-dioxide {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrothiophene-3-ol 1,1-dioxide {} {} {} {} {} {} {} {} {} {}
InChIKeyUGEUCEAIWUTYIC-UHFFFAOYSA-N
Chemical Name3-Hydroxy-2,3-Dihydrothiophene 1,1-Dioxide
Wiswesser Line NotationT5SW BUTJ DQ
CAS Number6211-59-2
Beilstein Registry Number0002823
Chemical Name Translation3-羟基-2,3-二氢噻吩-1,1-二氧化物
Canonical SMILESO=S1(C=CC(O)C1)=O
PubChem Substance ID201549
InChIInChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2
MDL NumberMFCD00519588
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分类

  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 5ring; alcohol; 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

RTECSXN0180000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Biochemical - Metabolism (Intermediary) - effect on inflammation or
   mediation of inflammation
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
   UK)  V.30-    1967-  Volume(issue)/page/year: 41,257,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#05455

Storage condition

系列性分类

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