Ethyl 1,3-Benzothiazole-2-Carboxylate 1,3-苯并噻唑-2-羧酸乙酯

CAS 32137-76-1 MFCD00848360

化学结构图

32137-76-1
SMILES: CCOC(=O)C1=NC2C=CC=CC=2S1

化学属性

Mol. FormulaC10H9NO2S
Mol. Weight207.25
Melting Point66-68°C
Density1.422
TSCANo
Boiling Point312.8°C at 760 mmHg

别名和识别编码

Chemical NameEthyl 1,3-Benzothiazole-2-Carboxylate
CAS Number32137-76-1
Alfabeta NameETHYLBENZOTHIAZOLECARBOXYLATE 132---,
MDL NumberMFCD00848360
Synonym Ethyl 1,3-benzothiazole-2-carboxylate {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1,3-benzothiazole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID253660417
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation1,3-苯并噻唑-2-羧酸乙酯
Reaxys-RN157472
Canonical SMILESC1=CC=CC2=C1SC(=N2)C(OCC)=O
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分类

  • {SNA} Building Blocks, C10 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
Signal word Warning
GHS Symbol
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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
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
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。
  • P305+P351+P338
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
0
LogP
2

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. Thiazoles 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. Thiazoles 噻唑
  5. C10 to C11 - Thiazoles
  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

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