HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 613488Erstellt: 2. November 2026
4-Methyl-5,12-dithia-3-azatricyclo(7.3.0.0,2,6)dodeca-1,3,6,8,10-pentaen-8-ol
Thieno[2,3-e]benzothiazol-5-ol, 2-methyl- · Thieno[2,3-e]benzothiazol-5-ol, 2-methyl- (9CI) · 2-Methylthieno[3',2':5,6]benzo[1,2-d]thiazol-5-ol
https://huagongshe.com/de/chemical/613488
Identifikatoren & physikalische Daten
| CAS No. | 294668-48-7 |
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| Summenformel | C10H7NOS2 |
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| Durchschnittliche Molmasse | 221,3 g/mol |
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| Monoisotopische Masse | 220,99690619 g/mol |
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| SMILES | Cc1nc2c(cc(O)c3ccsc32)s1 |
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| InChIKey | CKCVIZASFQSRBN-UHFFFAOYSA-N |
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| PubChem CID | 613488 |
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| EC No. | 975-828-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 89,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 238 |
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| Schmelzpunkt | 268 °C (sublm) |
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| Siedepunkt | 427.4±25.0 °C(Predicted) |
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| Dichte | 1.530±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 8.36±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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