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


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