2-乙基5-噻唑羧酸

2-乙基5-噻唑羧酸 基本信息
CAS号 30709-68-3 分子式 C6H7NO2S
分子量 157.19000 精确质量  157.02000
PSA  78.43000 LogP  1.40370

基本信息 展开↓

CAS号:
30709-68-3
3D弹球模型:
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分子式:
C6H7NO2S
分子量:
157.19000
中文名称:
2-乙基5-噻唑羧酸
英文名称:
2-Ethyl-1,3-thiazole-5-carboxylic acid
中文别名:
2-乙基5-噻唑羧酸;
乙基噻唑羧酸;
2-Pyrazolin-5-one, 1-(p-aminophenyl)-3-(1-pyrrolidinyl)-;
NSC 340301;
2-(4-aminophenyl)-5-(pyrrolidin-1-yl)-2,4-dihydro-3H-pyrazol-3-one;
1-(4-Aminophenyl)-3-(1-Pyrrolidino)-5-Pyrazolone;
1-(p-aminophenyl)-3-(1-pyrrolidino)-5-pyrazolone;
2-(4-Aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)-3H-pyrazol-3-one;
beta-Isocyanatoethyl methacrylate;
Metharcylic acid, 2-isocyanatoethyl ester;
2-isocyanatoethyl 2-methylprop-2-enoate;
1-isocyanatoethyl 2-methylprop-2-enoate;
2-Isocyanatoethyl methacrylate;
2-METHACRYLOYOXYL ETHYL ISOCYANATE;
2-methacryloyoxylethyl isocyanate;
Methacryloyloxyethyl isocyanate;
UNII-W6Y945055S;
Butanoic acid, 4-((4-chlorobenzoyl)(4-methoxyphenyl)amino)- (9CI);
Butyric acid, 4-(p-chloro-N-(p-methoxyphenyl)benzamido)-;
Clanobutin;
2-chloro-2-methylpropanoic acid;
(S)-a-chloropropionic acid;
(S)-2-Chloropropanoic Acid;
S-(-)-2-Chloropropionic Acid;
N-Aminomethyldopa;
NCGC00024596-01;
S(-)-CARBIDOPA;
SMR000058235;
Tocris-0455;
(2S);
S-(-)-carbidopa
英文别名:
2-Ethyl-1,3-thiazole-5-carboxylic acid;
2-ethyl-5-carboxythiazole;
2-Aethyl-thiazol-5-carbonsaeure;
5-Thiazolecarboxylic acid,2-ethyl;
2-ethyl-thiazole-5-carboxylic acid;
2-Ethyl-5-thiazolecarboxylic acid;
2-Ethyl-5-thiazolcarbonsaeure
精确分子量/精确质量:
157.02000
极性分子表面积/PSA:
78.43000
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:
InChI=1/C6H7NO2S/c1-2-5-7-3-4(10-5)6(8)9/h3H,2H2,1H3,(H,8,9)

物化性质展开↓

密度:
1.337g/cm3
沸点:
305.1ºC at 760 mmHg
闪点:
138.3ºC
折射率:
1.581

安全信息展开↓

海关代码:
2934100090

合成路线查看所有的合成路线

  • 631-58-3

    硫代丙酰胺

  • +

  • 33142-21-1

    (氯甲酰基)乙酸乙酯

  • 30709-68-3

    2-乙基5-噻唑羧酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ3675462
CHEMICAL NAME :
5-Thiazolecarboxylic acid, 2-ethyl-
CAS REGISTRY NUMBER :
30709-68-3
LAST UPDATED :
199806
DATA ITEMS CITED :
2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4045567
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
525 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4045567

海关数据查看详细

中国海关编码:2934100090

概述:
2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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