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HCID 329979Erstellt: 26. Oktober 2026

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

NSC 315244 · NSC 315239 · BUTTPARK 154\06-61 · CHEMBRDG-BB 4402996 · 6-methylimidazo[2,1-b]thiazole-5-carboxylic acid · 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic a · IMidazo[2,1-b]thiazole-5-carboxylic acid, 6-Methyl- · 6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID

https://huagongshe.com/de/chemical/329979

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

Identifikatoren & physikalische Daten

CAS No.77628-51-4
SummenformelC7H6N2O2S
Durchschnittliche Molmasse182,2 g/mol
Monoisotopische Masse182,01499861 g/mol
SMILESCc1nc2sccn2c1C(=O)O
InChIKeyVSQMBZXCDDTZAF-UHFFFAOYSA-N
PubChem CID329979
EC No.867-238-2
DTXSIDDTXSID60317404

Chemische & physikalische Eigenschaften

XLogP2,1
Polarare Oberfläche (TPSA)82,8
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen1
Schwere Atome12
Formalladung0
Komplexität212
Schmelzpunkt164 °C
Dichte1.62±0.1 g/cm3(Predicted)
LagerbedingungenStore at room temperature
pKa (Säurekonstante)-0.66±0.41(Predicted)
Aggregatzustandsolid
InChI1S/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
InChIKeyVSQMBZXCDDTZAF-UHFFFAOYSA-N
SMILESO=C(O)C1=C(C)N=C2N1C=CS2

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (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 exposureRespiratory 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)3
Zollcode2934999090
R-Sätze (R)36-43
GefahrensymboleXi
hazard_noteIrritant
Sicherheitshinweise (S)26-36/37
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2Skin Sens. 1