HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 698294Erstellt: 27. Oktober 2026
1-Methyl-3-phenylthiourea
M-TOLYL-THIOUREA · AKOS BBS-00000756 · TIMTEC-BB SBB003887 · 1,3-METHYLPHENYLTHIOUREA · 1-Methyl-3-phenylthiourea · 1-Phenyl-3-methylthiourea · 3-Methyl-1-phenylthiourea · 1-Methyl-3-phenyl-thiourea
https://huagongshe.com/de/chemical/698294
Identifikatoren & physikalische Daten
| CAS No. | 2724-69-8 |
|---|
| Summenformel | C8H10N2S |
|---|
| Durchschnittliche Molmasse | 166,25 g/mol |
|---|
| Monoisotopische Masse | 166,05646932 g/mol |
|---|
| SMILES | CNC(=S)Nc1ccccc1 |
|---|
| InChIKey | IGEQFPWPMCIYDF-UHFFFAOYSA-N |
|---|
| PubChem CID | 698294 |
|---|
| ChEMBL | CHEMBL1910056 |
|---|
| EC No. | 636-650-2 |
|---|
| DTXSID | DTXSID7062611 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|
| Polarare Oberfläche (TPSA) | 56,2 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 130 |
|---|
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
|---|
| LogP (Verteilungskoeffizient) | 0.85 |
|---|
| Schmelzpunkt | 113°C |
|---|
| Siedepunkt | 247.4±23.0 °C(Predicted) |
|---|
| Dichte | 1.1332 (rough estimate) |
|---|
| Brechungsindex | 1.5500 (estimate) |
|---|
| pKa (Säurekonstante) | 13.42±0.70(Predicted) |
|---|
| Aggregatzustand | powder to crystal |
|---|
| Farbe | White to Orange to Green |
|---|
| CAS Datenbank | 2724-69-8(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | Thiourea, N-methyl-N'-phenyl-(2724-69-8) |
|---|
| EPA chemische Informationen | N-Methyl-N'-phenylthiourea (2724-69-8) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (92.9%): 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.9%) |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| UN-Transportnummer | UN 2811 6.1/PG III |
|---|
| Zollcode | 2930.90.2900 |
|---|
| RTECS-Nr. | YT8750000 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Sicherheitshinweise (S) | 26-36/37/39 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
| Verpackungsgruppe | III |
|---|
