6-​Benzothiazolecarboxy​lic acid, 2-​amino- 2-氨基苯并噻唑-6-甲酸

CAS 93-85-6 MFCD00054180

化学结构图

93-85-6
SMILES: Nc1nc2ccc(C(=O)O)cc2s1

化学属性

Mol. FormulaC8H6N2O2S
Mol. Weight194.21
Melting Point265°C
Density1.604
TSCAYes
Boiling Point466.6°C at 760 mmHg

别名和识别编码

Chemical Name6-​Benzothiazolecarboxy​lic acid, 2-​amino-
CAS Number93-85-6
Alfabeta NameAMINOBENZOTHIAZOLECARBOXYLICACID 2136-----,
MDL NumberMFCD00054180
EC Number202-283-8
Synonym 2-Aminobenzo[d]thiazole-6-carboxylic acid {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzo[d]thiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation2-氨基苯并噻唑-6-甲酸
LabNetwork Molecule IDLN00115754
InChIKeyZEAKWWWXCZMODH-UHFFFAOYSA-N
PubChem Substance ID66740
InChIInChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
Canonical SMILESC1=C(C(O)=O)C=CC2=C1SC(=N2)N
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分类

  • {KO} AminesPrimary
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Signal word Warning
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
1
H-bond Donors
2
LogP
1

其他信息

  • Sigma Aldrich:93-85-6(sigmaaldrich)
  • MOL 文件:93-85-6.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzothiazoles 苯并噻唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Thiazole Acids

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