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HCID 94880Erstellt: 27. Oktober 2026
Naphtho[1,2-d]thiazol-2-amin
SKA 31 · -2-amine · SKA-31【S5576】 · AKOS BBS-00006561 · IFLAB-BB F1386-0401 · naphtho[1,2-d]thiazoL · SKA-31, 10 mM in DMSO · LABOTEST-BB LT00154570
https://huagongshe.com/de/chemical/94880
Identifikatoren & physikalische Daten
| CAS No. | 40172-65-4 |
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| Summenformel | C11H8N2S |
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| Durchschnittliche Molmasse | 200,26 g/mol |
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| Monoisotopische Masse | 200,04081926 g/mol |
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| SMILES | Nc1nc2c(ccc3ccccc32)s1 |
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| InChIKey | FECQXVPRUCCUIL-UHFFFAOYSA-N |
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| PubChem CID | 94880 |
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| ChEMBL | CHEMBL1709719 |
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| ChEBI | CHEBI:233330 |
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| EC No. | 254-822-1 |
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| DTXSID | DTXSID2068216 |
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| Lokaler Name | Naphtho[1,2-d]thiazol-2-amin |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 67,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 221 |
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| Löslichkeit | 27.4 [ug/mL] (The mean of the results at pH 7.4)DMSO: ≥30mg/mL |
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| Schmelzpunkt | 184-188°C |
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| Siedepunkt | 417.1±28.0 °C(Predicted) |
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| Dichte | 1.403±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 3.50±0.30(Predicted) |
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| Farbe | Off-white |
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| Stabilität | Stable for 1 year as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months. |
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| InChI | 1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13) |
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| InChIKey | FECQXVPRUCCUIL-UHFFFAOYSA-N |
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| SMILES | Nc1nc2c(ccc3ccccc23)s1 |
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| CAS Datenbank | 40172-65-4(CAS DataBase Reference) |
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| EPA chemische Informationen | Naphtho[1,2-d]thiazol-2-amine (40172-65-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| R-Sätze (R) | 20/21/22-36/37/38-36-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 22-36/37/39-26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
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![Molekülstruktur von Naphtho[1,2-d]thiazol-2-amin](/img/chemical/94880.png)