4H-1,3-Thiazin-4-one, tetrahydro-3-methyl-2-phenyl-

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Names

[ CAS No. ]:
52334-98-2

[ Name ]:
4H-1,3-Thiazin-4-one, tetrahydro-3-methyl-2-phenyl-

[Synonym ]:
Tetrahydro-3-methyl-2-phenyl-4H-1,3-thiazin-4-one
4H-1,3-Thiazin-4-one,tetrahydro-3-methyl-2-phenyl

Chemical & Physical Properties

[ Density]:
1.166g/cm3

[ Boiling Point ]:
391.5ºC at 760 mmHg

[ Molecular Formula ]:
C11H13NOS

[ Molecular Weight ]:
207.29200

[ Flash Point ]:
190.6ºC

[ Exact Mass ]:
207.07200

[ PSA ]:
45.61000

[ LogP ]:
2.21840

[ Index of Refraction ]:
1.583

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ1261600
CHEMICAL NAME :
4H-1,3-Thiazin-4-one, tetrahydro-3-methyl-2-phenyl-
CAS REGISTRY NUMBER :
52334-98-2
BEILSTEIN REFERENCE NO. :
0155870
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H13-N-O-S
MOLECULAR WEIGHT :
207.31

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 :
2700 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 122,517,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
675 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 122,517,1957

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-methyl-3-phenylmethanesulfinyl-propionamide
  • N-methyl 3-[(phenylmethyl)thio]propanamide
  • ethyl 3-benzylsulfanylpropanoate
  • benzylthiol

DownStream

Related Compounds

  • 2-(5-bromo-1H-indol-1-yl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide