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HCID 963501Erstellt: 27. Oktober 2026
6-Methyl-1,3-benzoxazole-2-thiol
6-METHYLBENZO[D]OXAZOLE-2-THIOL · 6-Methylbenzoxazole-2(3H)-thione · 6-Methyl-1,3-benzoxazole-2-thiol · 6-Methyl-3H-benzooxazole-2-thione · 2(3H)-Benzoxazolethione, 6-methyl- · 6-Methyl-1,3-benzoxazole-2(3H)-thione
https://huagongshe.com/de/chemical/963501
Identifikatoren & physikalische Daten
| CAS No. | 23417-29-0 |
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| Summenformel | C8H7NOS |
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| Durchschnittliche Molmasse | 165,21 g/mol |
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| Monoisotopische Masse | 165,02483484 g/mol |
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| SMILES | Cc1ccc2[nH]c(=S)oc2c1 |
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| InChIKey | NUMDWMDMUXZMHA-UHFFFAOYSA-N |
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| PubChem CID | 963501 |
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| ChEMBL | CHEMBL4856216 |
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| ChEBI | CHEBI:194953 |
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| EC No. | 807-316-5 |
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| DTXSID | DTXSID40359443 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 53,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 183 |
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| Schmelzpunkt | 209.0 to 213.0 °C |
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| Siedepunkt | 270.5±33.0 °C(Predicted) |
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| Dichte | 1.34±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Löslichkeit | soluble in Dimethylformamide |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 11.32±0.20(Predicted) |
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| Farbe | White to Brown |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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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| Zollcode | 2934999090 |
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