Ethyl 2-Amino-1,3-Benzothiazole-6-Carboxylate 2-氨基苯并噻唑-6-羧酸乙酯

CAS 50850-93-6 MFCD00102724

化学结构图

50850-93-6
SMILES: CCOC(=O)C1C=C2SC(N)=NC2=CC=1

化学属性

Mol. FormulaC10H10N2O2S
Mol. Weight222
Melting Point241 - 243 (°C)

别名和识别编码

Chemical NameEthyl 2-Amino-1,3-Benzothiazole-6-Carboxylate
CAS Number50850-93-6
Alfabeta NameETHYLAMINOBENZOTHIAZOLECARBOXYLATE 2136-----,
MDL NumberMFCD00102724
Synonym 2-Amino-benzothiazole-6-carboxylic acid ethyl ester ethyl 2-amino-benzothiazole-6-carboxylate {} {uni_hamburg}
Chemical Name Translation2-氨基苯并噻唑-6-羧酸乙酯
Reaxys-RN185097
PubChem Substance ID329780162
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分类

  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; ester; 1fragment
  • {SNA} Building Blocks, C10 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {KO} Esters
  • {KO} AminesPrimary

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

Warnings IRRITANT
WGK Germany3
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
GHS Symbol
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
1

系列性分类


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