2-Amino-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carbonitrile 2-氨基-3-腈基-4,5,6,7--四氢苯并[B]噻吩

CAS 4651-91-6 MFCD00128278

化学结构图

4651-91-6
SMILES: N#Cc1c(N)sc2c1CCCC2

化学属性

Mol. FormulaC9H10N2S
Mol. Weight178.25
Melting Point151-153°C
Density1.422
TSCANo
Boiling Point398.1°C at 760 mmHg

别名和识别编码

Chemical Name2-Amino-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carbonitrile
CAS Number4651-91-6
Alfabeta NameAMINOTETRAHYDROBENZOTHIOPHENECARBONITRILE 2456713-------,,,
MDL NumberMFCD00128278
EC Number225-085-3
Beilstein Registry Number2384789
Chemical Name Translation2-氨基-3-腈基-4,5,6,7--四氢苯并[B]噻吩
Synonym 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile {} {} {} {} {} {} {}
InChIKeyADHVMGAFAKSNOM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00001262
Canonical SMILESN#CC1=C(N)SC2=C1CCCC2
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {KO} Nitriles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
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
  • R22 Harmful if swallowed 吞咽有害
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
Hazard Codes Xi
UN Number 3439
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 Donors
1
H-bond Acceptors
1
Rotatable Bonds
0
LogP
1

其他信息

  • MOL 文件:4651-91-6.mol
  • Sigma Aldrich:4651-91-6(sigmaaldrich)
  • Hazard Note:Irritant
  • 检测方法:HPLC,NMR
  • 上游原料:乙醇 --> 硫磺 --> 二乙胺 --> 环己酮 --> 丙二腈

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

相关产品推荐