4,6-Dimethyl-2(3H)-benzothiazolone

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Names

[ CAS No. ]:
80567-67-5

[ Name ]:
4,6-Dimethyl-2(3H)-benzothiazolone

[Synonym ]:
4,6-Dimethyl-2(3H)-benzothiazolone
2(3H)-Benzothiazolone,4,6-dimethyl
4,6-Dimethyl-2(3H)-benzothiazolon [German]
4,6-dimethyl-2-benzothiazolinone
4,6-Dimethyl-2(3H)-benzothiazolon

Chemical & Physical Properties

[ Density]:
1.252 g/cm3

[ Molecular Formula ]:
C9H9NOS

[ Molecular Weight ]:
179.23900

[ Exact Mass ]:
179.04000

[ PSA ]:
61.10000

[ LogP ]:
2.20640

[ Index of Refraction ]:
1.623

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7140000
CHEMICAL NAME :
2(3H)-Benzothiazolone, 4,6-dimethyl-
CAS REGISTRY NUMBER :
80567-67-5
LAST UPDATED :
199606
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N-O-S
MOLECULAR WEIGHT :
179.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2920 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3345702
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #39818

Synthetic Route

Precursor & DownStream

Precursor

  • ethyl 4,6-dimethyl-2-iodophenylcarbamate

DownStream


Related Compounds

  • 4,6-Dimethyl-2(3H)-benzofuranone
  • 4,6-DICHLORO-2(3H)-BENZOTHIAZOLONE HYDRAZONE
  • 4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxylic acid
  • 4,6-dimethyl-2,2-dipentyl-3H-1-benzofuran-5-ol
  • 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
  • 4,6-Dimethyl-2-hydroxypyrimidine
  • 3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
  • 5-(1-Ethoxyethenyl)-2-fluoropyrimidine
  • 1-[(propan-2-yloxy)methyl]-1H-imidazol-2-amine
  • 1-[2-ethyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid
  • 2-[(4-methanesulfonyl-1H-pyrazol-1-yl)methyl]piperidine
  • [1-(4-Chloro-3-methoxyphenyl)cyclobutyl]methanol
  • 2-({[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methyl-1,3-thiazol-5-yl]formamido}oxy)-3-methoxypropanoic acid
  • 2-{[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanamido]oxy}-3-methoxypropanoic acid
  • 3-[(3-nitro-1H-pyrazol-4-yl)methyl]piperidin-3-ol
  • Methyl 2-amino-2-(4-ethoxy-2-methylphenyl)acetate
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