2,2-DIETHYL-3-THIOMORPHOLINONE

Suppliers

Names

[ CAS No. ]:
69226-06-8

[ Name ]:
2,2-DIETHYL-3-THIOMORPHOLINONE

[Synonym ]:
3-Thiomorpholinone,2-diethyl
3-Thiomorpholinone,2,2-diethyl
2,2-diethyl-thiomorpholin-3-one
2,2-Diaethyl-thiomorpholin-3-on
2,2-Diethyl-3-thiomorpholinone
3-Oxo-2.2-diaethyl-thiomorpholin

Chemical & Physical Properties

[ Density]:
1.007g/cm3

[ Boiling Point ]:
331.7ºC at 760 mmHg

[ Molecular Formula ]:
C8H15NOS

[ Molecular Weight ]:
173.27600

[ Flash Point ]:
154.4ºC

[ Exact Mass ]:
173.08700

[ PSA ]:
54.40000

[ LogP ]:
1.73700

[ Index of Refraction ]:
1.477

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3054000
CHEMICAL NAME :
3-Thiomorpholinone, 2,2-diethyl-
CAS REGISTRY NUMBER :
69226-06-8
BEILSTEIN REFERENCE NO. :
0119577
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H15-N-O-S
MOLECULAR WEIGHT :
173.30
WISWESSER LINE NOTATION :
T6MV DSTJ C2 C2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
652 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
137 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
185 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963

Synthetic Route

Precursor & DownStream

Precursor

  • 2-ETHYL-2-MERCAPTOBUTANOIC ACID
  • ETHYL 2-((2-AMINOETHYL)THIO)-2-ETHYLBUTANOATE
  • Butanoic acid,2-bromo-2-ethyl-
  • ETHYL 2-ETHYL-2-MERCAPTOBUTANOATE
  • Aziridine

DownStream


Related Compounds

  • 2,2-Diethyl-3-thiomorpholinone 1,1-dioxide
  • 2,2-diethyl-3,5-diphenyl-3H-furan-4-carboxylic acid
  • 2,2-diethyl-3-methylchromene
  • 2,2-diethyl-3-phenylchromene
  • 2,2-diethyl-3-methoxy-3-phenyloxirane
  • 2,2-diethyl-3-oxo-N-phenylbutanamide