4H,5H,6H-cyclopenta(b)thiophen-6-one

HCID 315614CAS 5650-52-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C1CCc2ccsc21
InChIKey: QHZITEHQKWPDJE-UHFFFAOYSA-N
Summenformel: C7H6OS
Durchschnittliche Molmasse: 138,19 g/mol
Monoisotopische Masse: 138,01393581

Namen und Bezeichner

Bevorzugter Name: 4H,5H,6H-cyclopenta(b)thiophen-6-one
IUPAC: 4,5-dihydrocyclopenta[b]thiophen-6-one
Englischer Name: 4,5-Dihydrocyclopenta[b]thiophen-6-one
Summenformel: C7H6OS
Molmasse: 138.19

Namen und Synonyme

4H,5H,6H-cyclopenta[b]thiophen-6-one4H,5H,6H-cyclopenta(b)thiophen-6-oneRefChem:527212823-210-15650-52-24H-Cyclopenta[b]thiophen-6(5H)-one4,5-dihydrocyclopenta[b]thiophen-6-one4,5-dihydro-6H-cyclopenta[b]thiophen-6-oneMFCD034269366H-Cyclopenta[b]thiophen-6-one, 4,5-dihydro-NSC241111SCHEMBL350515

Weitere Namen anzeigen

5-CHLORO-2,3-DIMET...4H-Cyclopenta[b]thiophen-6(5H)5-bromo-N-(2-furanylmethyl)-2-methylbenzenesulfonamide

DTXSID50311299QHZITEHQKWPDJE-UHFFFAOYSA-NAKOS0062800454H-Cyclopenta[b]thiophen-6(5H);-oneCS-W003073GS-4039NSC 241111NSC-241111

Datenbank-Bezeichner

CAS: 5650-52-2
PubChem CID: 315614
DTXSID: DTXSID50311299
EC Number: 823-210-1
Nikkaji: J1.063.833J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 144

Physikochemische Eigenschaften

Schmelzpunkt: 90 · 90-91 °C
Siedepunkt: 239.6 · 239.6±9.0 °C(Predicted)
Dichte: 1.322 · 1.322±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.