4-メチルチアゾール-5-カルボン酸エチル

5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester

HCID 298610

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 20582-55-2
標準SMILES: CCOC(=O)c1scnc1C
InChIKey: WISQBJLUORKXNY-UHFFFAOYSA-N
分子式: C7H9NO2S
平均分子量: 171.22 g/mol
単同位体質量: 171.03539953

名称と識別子

優先名称: 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
IUPAC: ethyl 4-methyl-1,3-thiazole-5-carboxylate
現地名: 4-メチルチアゾール-5-カルボン酸エチル
英語名: Ethyl 4-methyl-5-thiazoleactate
分子式: C7H9NO2S
分子量: 171.22

名称と別名

20582-55-25-Thiazolecarboxylic acid, 4-methyl-, ethyl esterRefChem:1073356Ethyl 4-methylthiazole-5-carboxylateEthyl 4-methyl-1,3-thiazole-5-carboxylateMFCD006268734-Methylthiazole-5-carboxylic acid ethyl esterEthyl4-methyl-5-thiazoleactateNSC1708244-methyl-5-thiazolecarboxylic acid ethylesterSCHEMBL31575SCHEMBL971952

名称をさらに表示

4-メチルチアゾール-5-カルボン酸エチル4-メチル-1,3-チアゾール-5-カルボン酸エチルエチル 4-メチル-1,3-チアゾール-5-カルボキシラートETHYL 4-METHYL-5-THIAZOLEACTATEEthyl-4-methyl-5-thiazoly formateETHYL 4-METHYL-5-THIAZOLYL FORMATEEthyl4-Methylthiazole-5-CarboxylatEthyl 4-metylthiazole-5-carboxylateEthyl-4-methyl-5-thizaolecarboxylateETHYL 4-METHYL-5-THIAZOLECARBOXYLATE4-methyl-5-(ethoxycarbonyl)-thiazole5-(Ethoxycarbonyl)-4-methyl-1,3-thiazole

DTXSID00942774HMS1703D02ethyl4-methylthiazole-5-carboxylate4-methyl-5-(ethoxycarbonyl)thiazoleSBB067075thiazole, 5-ethoxycarbonyl-4-methyl-AKOS0006728244-Methylthiazol-5-carbonsaureathylester

データベース識別子

CAS: 20582-55-2
PubChem CID: 298610
DTXSID: DTXSID00942774
EC Number: 606-584-9
Nikkaji: J1.905.411J

物性

構造計算による物性

XLogP: 1.9
極性表面積: 67.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 28 °C · 28°C(lit.)
沸点: 233 °C · 233°C(lit.)
比重(密度): 1.198 · 1.198±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to lump
酸解離定数(Pka): 1.57 · 1.57±0.10(Predicted)
色: White to Almost white
LogP: 1.41 · 1.410 (est)
CAS データベース: 20582 · 20582-55-2(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.