6-メチルイミダゾ[2,1-B][1,3]チアゾール-5-カルボン酸

6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid

HCID 329979

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 77628-51-4
標準SMILES: Cc1nc2sccn2c1C(=O)O
InChIKey: VSQMBZXCDDTZAF-UHFFFAOYSA-N
分子式: C7H6N2O2S
平均分子量: 182.2 g/mol
単同位体質量: 182.01499861

名称と識別子

優先名称: 6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid
IUPAC: 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
現地名: 6-メチルイミダゾ[2,1-B][1,3]チアゾール-5-カルボン酸
英語名: 6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID
分子式: C7H6N2O2S
分子量: 182.2

名称と別名

6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACIDDTXSID603174046-methylimidazo(2,1-b)(1,3)thiazole-5-carboxylic acidRefChem:543998DTXCID00268527867-238-277628-51-46-methylimidazo[2,1-b]thiazole-5-carboxylic acidMFCD02083132Imidazo[2,1-b]thiazole-5-carboxylic acid, 6-methyl-F3199-00856-Methylimidazo[2,1-b][1,3]-thiazole-5-carboxylic acid

名称をさらに表示

6-メチルイミダゾ[2,1-B][1,3]チアゾール-5-カルボン酸6‐メチルイミダゾ[2,1‐B][1,3]チアゾール‐5‐カルボン酸6-メチルイミダゾ[2,1-b]チアゾール-5-カルボン酸NSC 315244NSC 315239BUTTPARK 154\06-61CHEMBRDG-BB 44029966-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic a6-methylimidazo[2,1-b]thiazole-5-carboxylic acid - [M87411]6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid(SALTDATA: FREE)

6-methylimidazo[2,1-b]1,3-thiazoline-5-carboxylic acid6-methyl-imidazo[2,1-b]thiazole-5-carboxylic acidSCHEMBL269695VSQMBZXCDDTZAF-UHFFFAOYSA-NSMSSF-0054333NSC315239SBB083485AKOS000348637

データベース識別子

CAS: 77628-51-4
PubChem CID: 329979
DTXSID: DTXSID60317404
EC Number: 867-238-2
Nikkaji: J1.286.761A

物性

構造計算による物性

XLogP: 2.1
極性表面積: 82.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 212

物理化学的性質

融点: 164 °C · 164 °C
比重(密度): 1.62 · 1.62±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): -0.66 · -0.66±0.41(Predicted)
外見: solid
InChI: 1S/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
InChIKey: VSQMBZXCDDTZAF-UHFFFAOYSA-N
SMILES: O=C(O)C1=C(C)N=C2N1C=CS2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.