3-Thiomorpholinone, 2-ethyl-5,5-dimethyl-

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Names

[ CAS No. ]:
69226-13-7

[ Name ]:
3-Thiomorpholinone, 2-ethyl-5,5-dimethyl-

[Synonym ]:
2-Aethyl-5,5-dimethyl-thiomorpholin-3-on
3-Oxo-5.5-dimethyl-2-aethyl-thiomorpholin
2-ethyl-5,5-dimethyl-thiomorpholin-3-one
5,5-Dimethyl-2-ethyl-3-thiomorpholinone
3-Thiomorpholinone,5,5-dimethyl-2-ethyl

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

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3070000
CHEMICAL NAME :
3-Thiomorpholinone, 5,5-dimethyl-2-ethyl-
CAS REGISTRY NUMBER :
69226-13-7
BEILSTEIN REFERENCE NO. :
0120188
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H15-N-O-S
MOLECULAR WEIGHT :
173.30
WISWESSER LINE NOTATION :
T6MV DSTJ C2 F1 F1

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 :
3679 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Aziridine,2,2-dimethyl-
  • 2-mercapto-butyric acid ethyl ester

DownStream

Related Compounds

  • 3-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2-hydroxybenzoic acid
  • 3-(2-methoxy-ethyl)-5,5-dimethyl-thiazolidine-2,4-dione 2-(O-methylcarbamoyl-oxime)
  • 3-(2,2-Dimethoxy-ethyl)-5,5-dimethyl-4,5-dihydro-isoxazole-4-carboxylic acid methyl ester
  • 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
  • 1,3-Dioxane,2-ethyl-5,5-dimethyl-2-phenyl-
  • 1,3-Dioxane,2-ethyl-5,5-dimethyl-2-pentyl-(9CI)
  • Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-1-phenyl-3-(trifluoromethyl)-
  • Imidazo[1,5-a]pyrazine,8-chloro-1-iodo-3-(trifluoromethyl)-
  • Imidazo[1,5-a]pyrazine,8-chloro-6-(3-methoxyphenyl)-
  • Imidazo[1,5-a]pyrazine,8-chloro-6-phenyl-
  • Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(acetylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
  • tert-Butyl 1-(aminomethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
  • Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(formylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
  • Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-[[(dimethylamino)carbonyl]amino]-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
  • tert-butyl 3-(aminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
  • tert-Butyl 3-chloro-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
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