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

HCID 329979

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Grundinformationen

CAS: 77628-51-4
Standard-SMILES: Cc1nc2sccn2c1C(=O)O
InChIKey: VSQMBZXCDDTZAF-UHFFFAOYSA-N
Summenformel: C7H6N2O2S
Durchschnittliche Molmasse: 182,2 g/mol
Monoisotopische Masse: 182,01499861

Namen und Bezeichner

Bevorzugter Name: 6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid
IUPAC: 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Englischer Name: 6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID
Summenformel: C7H6N2O2S
Molmasse: 182.2

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 82,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 212

Physikochemische Eigenschaften

Schmelzpunkt: 164 °C · 164 °C
Dichte: 1.62 · 1.62±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: -0.66 · -0.66±0.41(Predicted)
Aggregatzustand: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.