HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4H,5H,6H-cyclopenta(b)thiophene-2-carboxylic acid
AKOS B021710 · BUTTPARK 146\08-20 · ART-CHEM-BB B021710 · TIMTEC-BB SBB007124 · PRL3-CNNM4 PPI-IN-1 · PRL3-CNNM4 interaction-IN-1 · 5,6-dihydro-4H-cyclopene-2-carboxylic acid · 2-Carboxy-5,6-dihydro-4H-cyclopenta[b]thiophene
Identifikatoren & physikalische Daten
| CAS No. | 40133-06-0 |
|---|---|
| Summenformel | C8H8O2S |
| Durchschnittliche Molmasse | 168,21 g/mol |
| Monoisotopische Masse | 168,0245005 g/mol |
| SMILES | O=C(O)c1cc2c(s1)CCC2 |
| InChIKey | XSFUFVBXPLWNBK-UHFFFAOYSA-N |
| PubChem CID | 770980 |
| ChEMBL | CHEMBL2324852 |
| EC No. | 818-920-3 |
| DTXSID | DTXSID30354381 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 181 |
| Schmelzpunkt | 200-202 |
| Siedepunkt | 347.7±42.0 °C(Predicted) |
| Dichte | 1.395±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 3.91±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white to yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
| Zollcode | 2934999090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5,6-Dihydro-4h-cyclopenta[b]thiophene-2-carboxylic Acid is used in the preparation of thiazolyl aminocarbamates for the treatment of BAF complex-related disorders.