HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,6-Dimethyl-2-thiouracil
DMTU · Nsc 60687 · Brn 0118811 · 5,6-Dimethylthiouracil · 5,6-dimethyl-2-thio-uraci · 5,6-Dimethyl-2-thiouracil · 5,6-dimethyl-2-sulfururacil · Uracil, 5,6-dimethyl-2-thio-
Identifikatoren & physikalische Daten
| CAS No. | 28456-54-4 |
|---|---|
| Summenformel | C6H8N2OS |
| Durchschnittliche Molmasse | 156,21 g/mol |
| Monoisotopische Masse | 156,03573388 g/mol |
| SMILES | Cc1[nH]c(=S)[nH]c(=O)c1C |
| InChIKey | MEAKRQUSGACTFV-UHFFFAOYSA-N |
| PubChem CID | 2736249 |
| EC No. | 625-291-7 |
| DTXSID | DTXSID00182653 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 232 |
| Schmelzpunkt | 284-288 °C(lit.) |
| Dichte | 1.2069 (rough estimate) |
| Brechungsindex | 1.6490 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)1.373g/L(25 ºC) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 7.88±0.25(Predicted) |
| Farbe | White to Pale Yellow |
| InChI | 1S/C6H8N2OS/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10) |
| InChIKey | MEAKRQUSGACTFV-UHFFFAOYSA-N |
| SMILES | CC1=C(C)C(=O)NC(=S)N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933599590 |
| RTECS-Nr. | YQ9887000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
5,6-dimethyl-2-Thiouracil is a heterocyclic building block that has been used in the synthesis of anti-HIV-1 pyrimidinones. It has also been used as an internal standard for the quantification of thyreostats, including 2-thiouracil, in bovine plasma.
Verwenden
5,6-Dimethylthiouracil is a heterocyclic building block.