HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 87152Erstellt: 25. Oktober 2026
6-Methylsulfonylbenzothiazol-2-ylamin
2-AMINO-6-(METHYLSULFONYL)BENZOTHIAZOLE · SKA 16 · AURORA 8319 · AKOS BBS-00006406 · TbPTR1 inhibitor 2 · LABOTEST-BB LT00080641 · Pramipexole Impurity 33 · TbPTR1 inhibitor 2, 10 mM in DMSO
https://huagongshe.com/de/chemical/87152
Identifikatoren & physikalische Daten
| CAS No. | 17557-67-4 |
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| Summenformel | C8H8N2O2S2 |
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| Durchschnittliche Molmasse | 228,3 g/mol |
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| Monoisotopische Masse | 228,0027195 g/mol |
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| SMILES | CS(=O)(=O)c1ccc2nc(N)sc2c1 |
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| InChIKey | ZYHNHJAMVNINSY-UHFFFAOYSA-N |
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| PubChem CID | 87152 |
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| ChEMBL | CHEMBL432942 |
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| EC No. | 241-537-2 |
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| DTXSID | DTXSID4051796 |
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| Lokaler Name | 6-Methylsulfonylbenzothiazol-2-ylamin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 110 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 312 |
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| Schmelzpunkt | 223 °C (dec.)(lit.) |
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| Siedepunkt | 500.8±56.0 °C(Predicted) |
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| Dichte | 1.518±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C, protect from light |
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| pKa (Säurekonstante) | 1.99±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to off-white |
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| CAS Datenbank | 17557-67-4(CAS DataBase Reference) |
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| EPA chemische Informationen | 2-Benzothiazolamine, 6-(methylsulfonyl)- (17557-67-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)Aggregated GHS information provided per 40 reports by companies from 3 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. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 2934208090 |
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| RTECS-Nr. | DL0863408 |
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| R-Sätze (R) | 36/37/38-22 |
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| Toxizität | mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),BEHAVIORAL: EXCITEMENTBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0534339, |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | Ⅲ |
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