HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-Methoxyphenyl)thioharnstoff
1-(4-methoxyphenyl)thiourea · p-anisylthiourea · n-p-anisylthiourea · 4-Methoxyphenylthiourea · p-Methoxyphenyl thiourea · P-methoxybenzyl thiourea · (4-methoxyphenyl)-thioure · 4-Methoxyphenylthiourea,98%
Identifikatoren & physikalische Daten
| CAS No. | 2293-07-4 |
|---|---|
| Summenformel | C8H10N2OS |
| Durchschnittliche Molmasse | 182,25 g/mol |
| Monoisotopische Masse | 182,05138394 g/mol |
| SMILES | COc1ccc(NC(N)=S)cc1 |
| InChIKey | SRYLJBWDZZMDSK-UHFFFAOYSA-N |
| PubChem CID | 667549 |
| ChEMBL | CHEMBL1094724 |
| EC No. | 218-931-8 |
| DTXSID | DTXSID90177472 |
| Lokaler Name | 1-(4-Methoxyphenyl)thioharnstoff |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 79,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 223-225 °C |
| Siedepunkt | 311.0±44.0 °C(Predicted) |
| Dichte | 1.287±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 13.13±0.70(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| BRN | 777238 |
| CAS Datenbank | 2293-07-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (86.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 2811 |
| Zollcode | 2930909899 |
| RTECS-Nr. | YT6825000 |
| R-Sätze (R) | 23/24/25 |
| Gefahrensymbole | T,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-38-36/37/39-28A-36/37 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
1-(4-Methoxyphenyl)thiourea is a useful reagent in the one-pot multicomponent synthesis of thioureas derivatives with antibacterial properties.