Dihydrothiophen-2(3H)-One 四氢噻吩-2-酮

CAS 1003-10-7 MFCD00005479

化学结构图

1003-10-7
SMILES: O=C1CCCS1

化学属性

Mol. FormulaC4H6OS
Mol. Weight102.15
Refractive indexn20/D 1.523(lit.)
Boiling Point39-40 °C at 1 mmHg
Density1.18 g/mL at 25 °C(lit.)
Melting Point138 °C

别名和识别编码

Chemical NameDihydrothiophen-2(3H)-One
Synonym Dihydrothiophen-2(3H)-one {LY} Dihydrothiophen-2(3H)-one {} {LY} Dihydrothiophen-2(3H)-one {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrothiophen-2(3H)-one {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005479
CAS Number1003-10-7
PubChem Substance ID13852
EC Number213-700-8
Chemical Name Translation四氢噻吩-2-酮
Wiswesser Line NotationT5SVTJ
Beilstein Registry Number0105273
LabNetwork Molecule IDLN02151261
InChIInChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
Canonical SMILESO=C1CCCS1
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分类

  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 5ring; thioester; 1fragment

相关文献及参考

  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19c Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54893-9 ISBN: 978-3-540-54893-5 Internet Resource: DOI:10.1007/b44435 RefComment: 8 figs., XI, 295 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplem

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXN1930000
Signal word Warning
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 199 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 14,846,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1860 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DCTODJ Drug and Chemical Toxicology.  (Marcel Dekker, 270 Madison Ave., New
   York, NY 10016) V.1-    1977/78-  Volume(issue)/page/year: 3,249,1980

Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P301+P312
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类


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