-
Name
3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
- EINECS
- CAS No. 55514-14-2
- Article Data27
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C9H10NS2•C7H7O3S
- Boiling Point
- Molecular Weight 367.514
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
- PSA 123.00000
- LogP 4.42760
3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate Chemical Properties
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:
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H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 57.42 Å2
3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate 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, |
3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate Consensus Reports
Reported in EPA TSCA Inventory.
3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate Safety Profile
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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