Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 6112-39-6
• Molecular Formula: C15H15NO3S2
• Molecular Weight: 321.4145
• European Community (EC) Number: 228-075-7
• DSSTox Substance ID: DTXSID6064117
• Mol file: 6112-39-6.mol

Synonyms:6112-39-6;Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1);3-Methylbenzothiazolium toluene-4-sulphonate;3-Methylbenzothiazolium-p-toluene sulfonate;EINECS 228-075-7;3-Methylbenzenethiazolium 4-methylbenzenesulfonate;BENZOTHIAZOLIUM, 3-METHYL-, p-TOLUENESULFONATE;4-methylbenzenesulfonate;3-methyl-1,3-benzothiazol-3-ium;Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1);C8H8NS.C7H7O3S;SCHEMBL5176140;DTXSID6064117;C8-H8-N-S.C7-H7-O3-S;LS-40904;3-Methylbenzothiazolium toluene-4-sulfonate

Chemical Property of Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 97.70000
• Density: g/cm³
• LogP: 3.70570
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 321.04933569
• Heavy Atom Count: 21
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CSC2=CC=CC=C21