3-Thiomorpholinone, 2-methyl-

Modify Date: 2024-01-16 19:22:04

3-Thiomorpholinone, 2-methyl- Structure
3-Thiomorpholinone, 2-methyl- structure
Common Name 3-Thiomorpholinone, 2-methyl-
CAS Number 69226-20-6 Molecular Weight 131.19600
Density 1.107g/cm3 Boiling Point 328.1ºC at 760 mmHg
Molecular Formula C5H9NOS Melting Point N/A
MSDS N/A Flash Point 152.3ºC

 Names

Name 2-methylthiomorpholin-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.107g/cm3
Boiling Point 328.1ºC at 760 mmHg
Molecular Formula C5H9NOS
Molecular Weight 131.19600
Flash Point 152.3ºC
Exact Mass 131.04000
PSA 54.40000
LogP 0.56670
Index of Refraction 1.499
InChIKey JFQNETYDIXLTTR-UHFFFAOYSA-N
SMILES CC1SCCNC1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3084000
CHEMICAL NAME :
3-Thiomorpholinone, 2-methyl-
CAS REGISTRY NUMBER :
69226-20-6
BEILSTEIN REFERENCE NO. :
0108438
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H9-N-O-S
MOLECULAR WEIGHT :
131.21
WISWESSER LINE NOTATION :
T6MV DSTJ C1

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 :
3357 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

 Safety Information

HS Code 2934999090

 Synthetic Route

~%

3-Thiomorpholinone, 2-methyl- Structure

3-Thiomorpholin...

CAS#:69226-20-6

Literature: Gallego, Maria Teresa; Brunet, Ernesto; Ruano, Jose Luis Garcia Journal of Organic Chemistry, 1993 , vol. 58, # 15 p. 3905 - 3911

~%

3-Thiomorpholinone, 2-methyl- Structure

3-Thiomorpholin...

CAS#:69226-20-6

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

~%

3-Thiomorpholinone, 2-methyl- Structure

3-Thiomorpholin...

CAS#:69226-20-6

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

~%

3-Thiomorpholinone, 2-methyl- Structure

3-Thiomorpholin...

CAS#:69226-20-6

Literature: Babitschew; Schokol Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1956 , vol. 22, p. 215 Chem.Abstr., 1957 , p. 423

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-Methyl-3-thiomorpholinone
3-Thiomorpholinone,2-methyl
3-methyl-2-oxo-1,4-thiazane
2-methyl-thiomorpholin-3-one
2-Methyl-thiomorpholin-3-on
3-Oxo-2-methyl-thiomorpholin
2-Methyl-3-oxo-thiomorpholin
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