Thiochroman-4-One 硫代苯并二氢吡喃-4-酮

CAS 3528-17-4 MFCD00006882

化学结构图

3528-17-4
SMILES: O=C1CCSc2ccccc21

化学属性

Mol. FormulaC9H8OS
Mol. Weight164.22
Boiling Point293.7 °C at 760 mmHg
Melting Point28-30°C
Refractive indexn20/D 1.6395(lit.)

别名和识别编码

Chemical NameThiochroman-4-One
MDL NumberMFCD00006882
PubChem Substance ID19048
CAS Number3528-17-4
EC Number222-548-1
Synonym Thiochroman-4-one {LY} Thiochroman-4-one {} {LY} Thiochroman-4-one {} {} {LY} Thiochroman-4-one {} {} {} {LY} Thiochroman-4-one {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiochroman-4-one
Alfabeta NameDIHYDROTHIOCHROMENONE H2344-----,
Chemical Name Translation硫代苯并二氢吡喃-4-酮
InChIKeyCVQSWZMJOGOPAV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00179208
InChIInChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
Canonical SMILESO=C1CCSC2=CC=CC=C12
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, S-Containing
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • {uni_hamburg} no charge; sulfur heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 10ring; ketone; sulfide; 1fragment
  • Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing

相关文献及参考

  • Beil. 17 ,II,336
  • Aldrich MSDS 1 , 1699:A / Corp MSDS 1 (2), 3327:A / FT-IR 2 (2), 2500:D / FT-IR 1 (2), 92:A / FT-NMR 1 (2), 914:C / IR-Spectra (3), 903:E / IR-Spectra (2), 790:G / NMR-Reference 2 (2), 95:C / RegBook 1 (2), 1695:B / Structure Index 1 , 269:B:1 / Vapor Phase 3 , 1276:C
  • 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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类


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