2H-Imidazo(4,5-b)pyridine-2-thione, 1,3-dihydro-5-methoxy-
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Grundinformationen
- CAS
113713-60-3- Standard-SMILES
COc1ccc2[nH]c(S)nc2n1- InChIKey
PNYFSMIUARCIRR-UHFFFAOYSA-N- Summenformel
- C7H7N3OS
- Durchschnittliche Molmasse
- 181,22 g/mol
- Monoisotopische Masse
- 181,03098303
Namen und Bezeichner
- Bevorzugter Name
- 2H-Imidazo(4,5-b)pyridine-2-thione, 1,3-dihydro-5-methoxy-
- IUPAC
- 5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
- Englischer Name
- 2-Mercapto-5-methoxyimidazole[4,5-b]pyridine
- Summenformel
- C7H7N3OS
- Molmasse
- 181.21
Namen und Synonyme
2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy-2H-Imidazo(4,5-b)pyridine-2-thione, 1,3-dihydro-5-methoxy-RefChem:484278601-278-1113713-60-32-Mercapto-5-methoxyimidazole[4,5-b]pyridine2-Mercapto-5-methoxyimidazole-[4,5-b]pyridine5-Methoxy-3H-imidazo[4,5-b]pyridine-2-thiol5-methoxy-1H-imidazo[4,5-b]pyridine-2-thiolMFCD066582302-Mercapto-5-methoxy-3H-imidazo[4,5-b]pyridine5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
Weitere Namen anzeigen
TENA-003(4,5-b)pyridine1,3-dihydro-5-methoxy-2-Mercapto-5-Methoxypyridine2-Mercapto-5-methoxyimidazoL2-Mercapto-5-methoxy-imidazo[42H-Imidazo[4,5-b] pyridine-2-thione5-Methoxy-2-thio-3H-imidazo[4,5-b]pyridine2-MERCAPTO-5-METHOXYIMIDAZOE[4,5-B]PYRIDINE
2-Mercapto-5-methoxyimidazol(4,5-b)pyridineCHEMBL17979232-Mercapto-5-methoxyimidazol[4,5-b]pyridineSCHEMBL3170310SCHEMBL5478348SCHEMBL29967302SCHEMBL31391412DTXSID70456136
Datenbank-Bezeichner
- CAS
113713-60-3- PubChem CID
- 11126879
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 78,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 199
Physikochemische Eigenschaften
- Schmelzpunkt
- 238 · 238-241°C
- Siedepunkt
- 324.9 · 324.9±52.0 °C(Predicted)
- Dichte
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- powder
- pka
- 7.39 · 7.39±0.40(Predicted)
- Farbe
- Off white to beige
- CAS Datenbank
- 113713 · 113713-60-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
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GHS-Klassifizierung
GHS Classification
Warning
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, 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 4 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.
Sicherheitsdaten
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
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