2-Phenylbenzo[D]Isothiazol-3(2H)-One 2-苯基苯并[d]异噻唑-3(2H)-酮

CAS 2527-03-9 MFCD02527039

化学结构图

2527-03-9
SMILES: O=c1c2ccccc2sn1-c1ccccc1

化学属性

Mol. FormulaC13H9NOS
Mol. Weight227.28

别名和识别编码

Synonym PD086291 {LY} PD086291 {} {LY} PD086291 {} {} {LY} PD086291 {} {} {} {LY} PD086291 {} {} {} {} {LY} PD086291 {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} PD086291 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name2-Phenylbenzo[D]Isothiazol-3(2H)-One
InChIKeyKDMQSUUXKLZVNU-UHFFFAOYSA-N
LabNetwork Molecule IDLN01109152
PubChem Substance ID164981
InChIInChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
CAS Number2527-03-9
Chemical Name Translation2-苯基苯并[d]异噻唑-3(2H)-酮
Canonical SMILESO=C1N(C2=CC=CC=C2)SC3=C1C=CC=C3
MDL NumberMFCD02311303
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分类

  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; amide; lactame; 1fragment

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.

安全信息

Storage condition

系列性分类

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