Methyl 2-aminothiophene-3-carboxylate 2-氨基噻吩-3-甲酸甲酯

CAS 4651-81-4 MFCD00159547

化学结构图

4651-81-4
SMILES: COC(=O)c1ccsc1N

化学属性

Mol. FormulaC6H7NO2S
Mol. Weight157.19
Melting Point76-81°C
Density1.422
TSCANo
Boiling Point259.4°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 2-aminothiophene-3-carboxylate
CAS Number4651-81-4
Alfabeta NameMETHYLAMINOTHIOPHENECARBOXYLATE 23---
MDL NumberMFCD00159547
EC Number225-084-8
Beilstein Registry Number2384789
PubChem Substance ID24880077
Synonym Methyl 2-aminothiophene-3-carboxylate {LY} Methyl 2-aminothiophene-3-carboxylate {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminothiophene-3-carboxylate {} {} {} {} {} {} {} {} {
Chemical Name Translation2-氨基噻吩-3-甲酸甲酯
InChIKeyDGGJQLCAYQCPDD-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009095
Canonical SMILESC1=CSC(=C1C(OC)=O)N
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分类

  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
  • {KO} AminesPrimary
  • {KO} Esters

相关文献及参考

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S37 Wear suitable gloves 戴适当手套；
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2
H-bond Donors
1
LogP
4.637000000000000e-001

其他信息

  • MOL 文件:4651-81-4.mol
  • 2-氨基噻吩-3-羧酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 GK02784EA 2-氨基噻吩-3-羧酸甲酯 methyl 2-aminothiophene-3-carboxylate 10 GR 1695元 2010/06/21 GK02784DA 2-氨基噻吩-3-羧酸甲酯 methyl 2-aminothiophene-3-carboxylate 1 GR 375元
  • 检测方法:GC
  • Sigma Aldrich:4651-81-4(sigmaaldrich)
  • Hazard Note:Irritant
  • 上游原料:三乙胺 --> 甲基叔丁基醚 --> 氰乙酸甲酯 --> 1,4-二硫-2,5-二醇
  • Acros Organics:methyl 2-aminothiophene-3-carboxylate(4651-81-4)

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. Thiophenes 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
  5. C4 to C6 - Thiophenes

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