5-ethyl-2,2-dimethylthiomorpholin-3-one

Modify Date: 2025-09-18 09:27:09

5-ethyl-2,2-dimethylthiomorpholin-3-one Structure
5-ethyl-2,2-dimethylthiomorpholin-3-one structure
Common Name 5-ethyl-2,2-dimethylthiomorpholin-3-one
CAS Number 69226-12-6 Molecular Weight 173.27600
Density 0.993g/cm3 Boiling Point 321.4ºC at 760 mmHg
Molecular Formula C8H15NOS Melting Point N/A
MSDS N/A Flash Point 148.2ºC

 Names

Name 5-ethyl-2,2-dimethylthiomorpholin-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.993g/cm3
Boiling Point 321.4ºC at 760 mmHg
Molecular Formula C8H15NOS
Molecular Weight 173.27600
Flash Point 148.2ºC
Exact Mass 173.08700
PSA 54.40000
LogP 1.73540
Index of Refraction 1.47
InChIKey UYRUCWOYLKIGPJ-UHFFFAOYSA-N
SMILES CCC1CSC(C)(C)C(=O)N1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3068000
CHEMICAL NAME :
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CAS REGISTRY NUMBER :
69226-12-6
BEILSTEIN REFERENCE NO. :
0119922
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H15-N-O-S
MOLECULAR WEIGHT :
173.30
WISWESSER LINE NOTATION :
T6MV DSTJ C1 C1 F2

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 :
593 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

~%

5-ethyl-2,2-dimethylthiomorpholin-3-one Structure

5-ethyl-2,2-dim...

CAS#:69226-12-6

Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

5-Aethyl-2,2-dimethyl-thiomorpholin-3-on
5-ethyl-2,2-dimethyl-thiomorpholin-3-one
3-Oxo-2.2-dimethyl-5-aethyl-thiomorpholin
2,2-Dimethyl-5-ethyl-3-thiomorpholinone
3-Thiomorpholinone,2,2-dimethyl-5-ethyl
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