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3-Chloro-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
AKOS 92583 · IFLAB-BB F0307-0219 · 4-Chloro-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine · 4-CHLORO-2-METHYL-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE · [1]BENZOTHIENO[2,3-D]PYRIMIDINE, 4-CHLORO-5,6,7,8-TETRAHYDRO-2-METHYL- · 4-Chloro-2-Methyl-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyriMidine, 96%
![Molekülstruktur von 3-Chloro-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene](/img/chemical/290237.png)
Identifikatoren & physikalische Daten
| CAS No. | 81765-97-1 |
|---|---|
| Summenformel | C11H11ClN2S |
| Durchschnittliche Molmasse | 238,74 g/mol |
| Monoisotopische Masse | 238,0331472 g/mol |
| SMILES | Cc1nc(Cl)c2c3c(sc2n1)CCCC3 |
| InChIKey | VBBUCJFANWYVMU-UHFFFAOYSA-N |
| PubChem CID | 290237 |
| EC No. | 838-305-3 |
| DTXSID | DTXSID901002193 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 54 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 251 |
| Schmelzpunkt | 94 °C |
| Dichte | 1.367±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 1.27±0.20(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Zollcode | 2934999090 |
Anwendungen & Verwendung
Verwenden
4-chloro-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is a useful reactant for the synthesis of thieno[2,3-d]pyrimidines and furo[2,3-d]pyrimidines derivatives, for the use as c-Met inhibitiors as a potential antitumor agents.