Identifikatoren & physikalische Daten
| CAS No. | 100866-62-4 |
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| Summenformel | C14H13NO2S |
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| Durchschnittliche Molmasse | 259,33 g/mol |
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| SMILES | COC(=O)c1ccccc1Sc1ccccc1N |
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| InChIKey | QXBFUIGOTAJIBQ-UHFFFAOYSA-N |
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| PubChem CID | 614949 |
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| EC No. | 111-952-2 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 77,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 285 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, 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 | Skin Irrit. 2 (100%) |
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![Molekülstruktur von Methyl 2-[(2-aminophenyl)sulfanyl]benzoate](/img/chemical/614949.png)