2,2-DIETHYL-3-THIOMORPHOLINONE

Modify Date: 2025-11-10 21:42:50

2,2-DIETHYL-3-THIOMORPHOLINONE Structure
2,2-DIETHYL-3-THIOMORPHOLINONE structure
 Common Name 2,2-DIETHYL-3-THIOMORPHOLINONE
CAS Number 69226-06-8 Molecular Weight 173.27600
Density 1.007g/cm3 Boiling Point 331.7ºC at 760 mmHg
Molecular Formula C8H15NOS Melting Point N/A
MSDS N/A Flash Point 154.4ºC

 Names

Name 2,2-diethylthiomorpholin-3-one
Synonym More Synonyms

 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

2-ETHYL-2-MERCAPTOBUTANOIC ACID structure

2-ETHYL-2-MERCA...

CAS#:52988-77-9

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2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;
ETHYL 2-((2-AMINOETHYL)THIO)-2-ETHYLBUTANOATE structure

ETHYL 2-((2-AMI...

CAS#:91426-73-2

~%

2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;
Butanoic acid,2-bromo-2-ethyl- structure

Butanoic acid,2...

CAS#:5456-23-5

~%

2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;
ETHYL 2-ETHYL-2-MERCAPTOBUTANOATE structure

ETHYL 2-ETHYL-2...

CAS#:67431-23-6

~%

2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;
2-ethoxythiocarbonylmercapto-2-ethyl-butyric acid structure

2-ethoxythiocar...

CAS#:90647-45-3

~%

2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;
N/A structure

N/A

CAS#:98487-12-8

~%

2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Skinner,G.S.; Macnair,R.N. Journal of Organic Chemistry, 1960 , vol. 25, p. 1164 - 1168
Aziridine structure

Aziridine

CAS#:151-56-4

ETHYL 2-ETHYL-2-MERCAPTOBUTANOATE structure

ETHYL 2-ETHYL-2...

CAS#:67431-23-6

~%

2,2-DIETHYL-3-THIOMORPHOLINONE Structure

2,2-DIETHYL-3-T...

CAS#:69226-06-8

Literature: Lehr,H. et al. Journal of Medicinal Chemistry, 1963 , vol. 6, p. 136 - 141

 Synonyms

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
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