1,3-Benzothiazole-2,6-Diamine 1,3-苯并噻唑-2,6-二胺
CAS 5407-51-2 MFCD00613407
化学结构图
SMILES: Nc1sc(N)c2cnccc12
化学属性
| Mol. Formula | C7H7N3S |
|---|---|
| Mol. Weight | 165.21558 |
| Density | |
| Boiling Point | 404.4±37.0 °C at 760 mmHg |
| Melting Point | 207 °C |
别名和识别编码
| Chemical Name | 1,3-Benzothiazole-2,6-Diamine |
|---|---|
| CAS Number | 5407-51-2 |
| Alfabeta Name | BENZOTHIAZOLEDIAMINE 26--, |
| MDL Number | MFCD00613407 |
| Synonym | 1,3-Benzothiazole-2,6-diamine {LY} 1,3-Benzothiazole-2,6-diamine {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzothiazole-2,6-diamine |
| Chemical Name Translation | 1,3-苯并噻唑-2,6-二胺 |
| Wiswesser Line Notation | T56 BN DSJ CZ GZ |
| Beilstein Registry Number | 0127744 |
| EC Number | |
| LabNetwork Molecule ID | LN00119920 |
| PubChem Substance ID | 21504 |
| InChI | InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10) |
| Canonical SMILES | NC1=NC2=CC=C(N)C=C2S1 |
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分类
- {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 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
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 384 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,486,1952
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