2-Acetamidodibenzothiophene

HCID 108627CAS 54818-88-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)Nc1ccc2sc3ccccc3c2c1
InChIKey: FBHBFAPHAYSMFP-UHFFFAOYSA-N
Summenformel: C14H11NOS
Durchschnittliche Molmasse: 241,31 g/mol
Monoisotopische Masse: 241,05613515

Namen und Bezeichner

Bevorzugter Name: 2-Acetamidodibenzothiophene
IUPAC: N-dibenzothiophen-2-ylacetamide
Englischer Name: N-(Dibenzothiophen-2-yl)acetamide
Summenformel: C14H11NOS
Molmasse: 241.31

Namen und Synonyme

2-AcetamidodibenzothiopheneRefChem:462773659-780-12-Acetylaminodibenzothiophene54818-88-1N-dibenzothiophen-2-ylacetamiden-(dibenzo[b,d]thiophen-2-yl)acetamideN-2-DibenzothienylacetamideAcetamide, N-2-dibenzothienyl-BRN 0192545N-(dibenzothiophen-2-yl)acetamide4-18-00-07187 (Beilstein Handbook Reference)

Weitere Namen anzeigen

SCHEMBL5106815DTXSID90970162FBHBFAPHAYSMFP-UHFFFAOYSA-NAKOS024338583DB-320532N-(Dibenzo[b,d]thiophen-2-yl)ethanimidic acid

Datenbank-Bezeichner

CAS: 54818-88-1
PubChem CID: 108627
DTXSID: DTXSID90970162
EC Number: 659-780-1
Nikkaji: J74.858G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 57,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 307

Physikochemische Eigenschaften

Dichte: 1.1915 · 1.1915 (rough estimate)
Brechungsindex: 1.75 · 1.7500 (estimate)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.