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55514-14-2

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Basic Information
CAS No.: 55514-14-2
Name: 3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
Article Data: 27
Molecular Structure:
Molecular Structure of 55514-14-2 (3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate)
Formula: C9H10NS2•C7H7O3S
Molecular Weight: 367.514
Synonyms: 3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 123.00000
LogP: 4.42760
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Chemistry

IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
Synonyms of 3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate (CAS NO.55514-14-2): EINECS 259-687-2 ; NSC 84235 ; 3-Methyl-2-(methylthio)benzothiazolium p-toluenesulphonate ; Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1) ; Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1) ; Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonicacid (1:1) (9CI)
CAS NO: 55514-14-2
Molecular Formula of 3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate (CAS NO.55514-14-2): C16H17NO3S3
Molecular Weight of 3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate (CAS NO.55514-14-2): 367.5061
Molecular Structure:

H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 57.42 Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02000,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx.