Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 2-氨基-4,5,6,7-四氢苯并[b]噻酚-3-羧酸乙酯

CAS 4506-71-2 MFCD00005862

化学结构图

4506-71-2
SMILES: CCOC(=O)c1c(N)sc2c1CCCC2

化学属性

Mol. FormulaC11H15NO2S
Mol. Weight225.31
Melting Point114-116°C
TSCANo
Boiling Point407.5 °C at 760 mmHg

别名和识别编码

Chemical NameEthyl 2-Amino-4,5,6,7-Tetrahydrobenzo[B]Thiophene-3-Carboxylate
CAS Number4506-71-2
Alfabeta NameETHYLAMINOTETRAHYDROBENZOTHIOPHENECARBOXYLATE 2456713-------,,,
MDL NumberMFCD00005862
PubChem Substance ID78262
EC Number224-823-1
Synonym Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbox
Chemical Name Translation2-氨基-4,5,6,7-四氢苯并[b]噻酚-3-羧酸乙酯
Reaxys-RN1284763
InChIKeyCDYVTVLXEWMCHU-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009822
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
Canonical SMILESCCOC(C1=C(N)SC2=C1CCCC2)=O
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信息真实价格透明    资金保障    专业采购外包团队在线服务   
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分类

  • {KO} Esters
  • {SNA} Benzothiophenes, Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, E, Heterocyclic Building Blocks
  • {KO} AminesPrimary
  • {SNA} Benzothiophenes, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Safety Statements
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

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
2
Rotatable Bonds
3
H-bond Donors
1
LogP
1

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. Benzopyrans 苯并吡喃
  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. Benzothiophenes 苯并噻吩
  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. Benzothiophenes 苯并噻吩
  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. Thiophenes 噻吩

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