4-(4-Chlorobenzoyl)-1,3,3a,4,9,9a-hexahydro-2H-2lambda~4~-thieno[3,4-b]quinoxalin-2-one

cis-4-(4-Chlorobenzoyl)-1,3,3A,4,9,9A-hexahydrothieno(3,4-B)quinoxaline 2-oxide · cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxalin e 2-oxide · cis-N-Parachlorobenzoyl-4 hexahydro-1,3,3A,4,9,9A thieno(3,4-B)quinoxaline monoxyde · Thieno(3,4-B)quinoxaline, 1,3,3A,4,9,9A-hexahydro-4-(4-chlorobenzoyl)-, 2-oxide, cis- · cis-N-Parachlorobenzoyl-4 hexahydro-1,3,3A,4,9,9A thieno(3,4-B)quinoxaline monoxyde [french]

https://huagongshe.com/de/chemical/3075913

Molekülstruktur von 4-(4-Chlorobenzoyl)-1,3,3a,4,9,9a-hexahydro-2H-2lambda~4~-thieno[3,4-b]quinoxalin-2-one

Identifikatoren & physikalische Daten

CAS No.	129303-29-3
Summenformel	C17H15ClN2O2S
Durchschnittliche Molmasse	346,839 g/mol
Monoisotopische Masse	346,0542764 g/mol
SMILES	O=C(c1ccc(Cl)cc1)N1c2ccccc2N[C@@H]2CS(=O)C[C@@H]21
InChIKey	BZVUNXFQOZIZMQ-MNJWVGMUSA-N
PubChem CID	3075913
DTXSID	DTXSID60926373

Chemische & physikalische Eigenschaften

Schmelzpunkt	254 °C
Siedepunkt	629.718±55.00 °C(Press: 760.00 Torr)(predicted)
Dichte	1.523±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (Säurekonstante)	3.951±0.20(predicted)