乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸

乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸 基本信息
CAS号 5919-29-9 分子式 C13H17NO3S
分子量 267.34400 精确质量  267.09300
PSA  83.64000 LogP  2.83500

基本信息 展开↓

CAS号:
5919-29-9
3D弹球模型:
立即前往扯扯看
分子式:
C13H17NO3S
分子量:
267.34400
中文名称:
乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸
英文名称:
ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
中文别名:
乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸;
2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-甲酸乙酯;
2-乙酰氨基-4,5,6,7-四氢-1-苯并噻吩-3-甲酸乙酯;
2-乙酰氨基-4,5,6,7-四氢苯并噻吩-3-甲酸乙酯;
2-乙酰氨基-4,5,6,7-四氢苯并噻吩-3-羧酸乙酯
英文别名:
ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;
2-acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester;
2-acetamido-3-carboethoxy-4,5-tetramethylenethiophene;
ethyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;
Ethyl 4,5,6,7-tetrahydro-2-(acetylamino)benzo(b)thiophene-3-carboxylate;
2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester;
ethyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;
Benzo(b)thiophene-3-carboxylic acid,4,5,6,7-tetrahydro-2-(acetylamino)-,ethyl ester;
ethyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
精确分子量/精确质量:
267.09300
极性分子表面积/PSA:
83.64000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: MYGDFSFTVVUJHF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.253g/cm3
沸点:
492.9ºC at 760 mmHg
闪点:
251.9ºC
折射率:
1.591

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 4506-71-2

    2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯

  • +

  • 108-24-7

    乙酸酐

  • ~97%

  • 5919-29-9

    乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸

  • 4506-71-2

    2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯

  • +

  • 75-36-5

    乙酰氯

  • ~97%

  • 5919-29-9

    乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸

  • 4506-71-2

    2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯

  • 5919-29-9

    乙基 2-(乙酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9603600
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester
CAS REGISTRY NUMBER :
5919-29-9
BEILSTEIN REFERENCE NO. :
1318072
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H17-N-O3-S
MOLECULAR WEIGHT :
267.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,413,1980

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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