CAS 4651-91-6 MFCD00128278-2-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 TAO{mole}

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

SMILES: N#Cc1c(N)sc2c1CCCC2

化学属性

Mol. Formula	C9H10N2S
Mol. Weight	178.25
Melting Point	151-153°C
Density	1.422
TSCA	No
Boiling Point	398.1°C at 760 mmHg

别名和识别编码

Chemical Name	2-Amino-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carbonitrile
CAS Number	4651-91-6
Alfabeta Name	AMINOTETRAHYDROBENZOTHIOPHENECARBONITRILE 2456713-------,,,
MDL Number	MFCD00128278
EC Number	225-085-3
Beilstein Registry Number	2384789
Chemical Name Translation	2-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-carbon
InChIKey	ADHVMGAFAKSNOM-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00001262
Canonical SMILES	N#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

品牌质保精细包装现货库存一流品牌服务

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

Lipinski's Rule of 5

H-bond Donors

H-bond Acceptors

Rotatable Bonds

LogP

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