3-METHYL-2-(METHYLTHIO)-BENZOTHIAZOL-IUM-p-TOLUENESULFONATE

Suppliers

Names

[ CAS No. ]:
55514-14-2

[ Name ]:
3-METHYL-2-(METHYLTHIO)-BENZOTHIAZOL-IUM-p-TOLUENESULFONATE

[Synonym ]:
3-Methyl-2-methylthiobenzothiozolium p-toluenesulfonate
BENZOTHIAZOLIUM,3-METHYL-2-METHYLTHIO-,p-TOLUENESULFONATE
EINECS 259-687-2
N-methyl-2-methylthiobenzothiazolium tosylate
N-methyl-2-methylthiobenzothiazolium p-toluenesulfonate

Chemical & Physical Properties

[ Molecular Formula ]:
C16H17NO3S3

[ Molecular Weight ]:
367.50600

[ Exact Mass ]:
367.03700

[ PSA ]:
123.00000

[ LogP ]:
4.42760

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7080000
CHEMICAL NAME :
Benzothiazolium, 3-methyl-2-methylthio-, p-toluenesulfonate
CAS REGISTRY NUMBER :
55514-14-2
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H10-N-S2.C7-H7-O3-S
MOLECULAR WEIGHT :
367.52
WISWESSER LINE NOTATION :
T56 BK DSJ B1 CS1 &WSO&R D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Methylmercaptobenzothiazole
  • Methyl p-toluenesulfonate
  • 2-Mercaptobenzothiazole
  • 2-Chloroaniline
  • 2(3H)-Benzothiazolethione,3-methyl-

DownStream

  • 2-(3-methyl-1,3-benzothiazol-2-ylidene)indene-1,3-dione

Related Compounds

  • 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
  • 1-(3-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
  • 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