3-Thiomorpholinone, 2,5,5-trimethyl-

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Names

[ CAS No. ]:
69226-25-1

[ Name ]:
3-Thiomorpholinone, 2,5,5-trimethyl-

[Synonym ]:
2,5,5-trimethyl-thiomorpholin-3-one
3-Thiomorpholinone,2,5,5-trimethyl
2,5,5-Trimethyl-3-thiomorpholinone
3-Oxo-2.5.5.-trimethyl-thiomorpholin

Chemical & Physical Properties

[ Density]:
1.015g/cm3

[ Boiling Point ]:
309ºC at 760 mmHg

[ Molecular Formula ]:
C7H13NOS

[ Molecular Weight ]:
159.24900

[ Flash Point ]:
140.7ºC

[ Exact Mass ]:
159.07200

[ PSA ]:
54.40000

[ LogP ]:
1.34530

[ Index of Refraction ]:
1.474

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3094000
CHEMICAL NAME :
3-Thiomorpholinone, 2,5,5-trimethyl-
CAS REGISTRY NUMBER :
69226-25-1
BEILSTEIN REFERENCE NO. :
0113974
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H13-N-O-S
MOLECULAR WEIGHT :
159.27
WISWESSER LINE NOTATION :
T6MV DSTJ C1 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 :
808 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-
  • ETHYL 2-MERCAPTOPROPIONATE

DownStream

Related Compounds

  • 3-(2,5,5-Trimethyl-1,3-dioxan-2-yl)thiophene-2-sulfonamide
  • 3-(2,5,5-trimethyl-1,3-dioxan-2-yl)propylmagnesium chloride
  • 3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenol
  • 3-(2,5,5-trimethyl-1,3-dioxan-2-yl)-2-thiophenesulfonyl chloride
  • 2,2,5-Trimethyl-3-thiomorpholinone
  • 3-Thiomorpholinone, 2,5-diethyl-
  • (E)-N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-3-(furan-3-yl)acrylamide
  • N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
  • N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)cyclopropanesulfonamide
  • N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-2,4,5-trimethylbenzenesulfonamide
  • 3-chloro-N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-2-methylbenzenesulfonamide
  • 3-chloro-4-fluoro-N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
  • N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
  • 2,4-dichloro-N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-5-methylbenzenesulfonamide
  • N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)-4-(trifluoromethoxy)benzenesulfonamide
  • methyl 4-(N-(2-(furan-2-yl)-2-hydroxy-2-(thiophen-3-yl)ethyl)sulfamoyl)benzoate
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