Thiochroman-4-One 硫代苯并二氢吡喃-4-酮
CAS 3528-17-4 MFCD00006882
化学结构图
SMILES: O=C1CCSc2ccccc21
化学属性
| Mol. Formula | C9H8OS |
|---|---|
| Mol. Weight | 164.22 |
| Boiling Point | 293.7 °C at 760 mmHg |
| Melting Point | 28-30°C |
| Refractive index | n20/D 1.6395(lit.) |
别名和识别编码
| Chemical Name | Thiochroman-4-One |
|---|---|
| MDL Number | MFCD00006882 |
| PubChem Substance ID | 19048 |
| CAS Number | 3528-17-4 |
| EC Number | 222-548-1 |
| 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 Name | DIHYDROTHIOCHROMENONE H2344-----, |
| Chemical Name Translation | 硫代苯并二氢吡喃-4-酮 |
| InChIKey | CVQSWZMJOGOPAV-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00179208 |
| InChI | InChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2 |
| Canonical SMILES | O=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
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