HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 91679Erstellt: 27. Oktober 2026
S-(1-Methyl-1-phenylethyl)piperidin-1-carbothioat
my93 · muw1193 · YUKAMATE · DIMEPIPERATE · Einecs 262-784-2 · Dimepiperate [iso] · Iprodione Impurity 9 · Dimepiperate solution
https://huagongshe.com/de/chemical/91679
Identifikatoren & physikalische Daten
| CAS No. | 61432-55-1 |
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| Summenformel | C15H21NOS |
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| Durchschnittliche Molmasse | 263,4 g/mol |
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| Monoisotopische Masse | 263,13438529 g/mol |
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| SMILES | CC(C)(SC(=O)N1CCCCC1)c1ccccc1 |
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| InChIKey | BWUPSGJXXPATLU-UHFFFAOYSA-N |
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| PubChem CID | 91679 |
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| ChEBI | CHEBI:34713 |
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| EC No. | 262-784-2 |
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| DTXSID | DTXSID5058141 |
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| Lokaler Name | S-(1-Methyl-1-phenylethyl)piperidin-1-carbothioat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 45,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 278 |
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| Pestizide | HerbicidesActive substance -> EU Pesticides database: Not approvedPesticide (Dimepiperate) -> USDA PDB |
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| Schmelzpunkt | 39℃ |
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| Siedepunkt | 166 °C |
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| Dichte | 1.0766 (rough estimate) |
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| Brechungsindex | 1.7500 (estimate) |
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| Lagerbedingungen | 0-6°C |
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| pKa (Säurekonstante) | -1.24±0.20(Predicted) |
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| Henry-Konstante | 2.8×102 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
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| Hauptanwendungen | agricultureenvironmental |
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| InChI | 1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3 |
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| InChIKey | BWUPSGJXXPATLU-UHFFFAOYSA-N |
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| SMILES | CC(C)(SC(=O)N1CCCCC1)c2ccccc2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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| Regulatorische Informationen | 2002/2076 |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4Acute Tox. 4 * |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN3082 9/PG 3 |
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| Zollcode | 29333990 |
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| RTECS-Nr. | TM5958000 |
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| R-Sätze (R) | 22-51/53 |
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| Gefahrensymbole | Xn,N |
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| Sicherheitshinweise (S) | 61 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 2 |
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