CAS 4506-71-2 MFCD00005862-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 TAO{mole}

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

SMILES: CCOC(=O)c1c(N)sc2c1CCCC2

化学属性

Mol. Formula	C11H15NO2S
Mol. Weight	225.31
Melting Point	114-116°C
TSCA	No
Boiling Point	407.5 °C at 760 mmHg

别名和识别编码

Chemical Name	Ethyl 2-Amino-4,5,6,7-Tetrahydrobenzo[B]Thiophene-3-Carboxylate
CAS Number	4506-71-2
Alfabeta Name	ETHYLAMINOTETRAHYDROBENZOTHIOPHENECARBOXYLATE 2456713-------,,,
MDL Number	MFCD00005862
PubChem Substance ID	78262
EC Number	224-823-1
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 Translation	2-氨基-4,5,6,7-四氢苯并[b]噻酚-3-羧酸乙酯
Reaxys-RN	1284763
InChIKey	CDYVTVLXEWMCHU-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00009822
InChI	InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
Canonical SMILES	CCOC(C1=C(N)SC2=C1CCCC2)=O

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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

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP