2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

Base Information

• Chemical Name: 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
• CAS No.: 21431-13-0
• Molecular Formula: C5H2 Br2 O3
• Molecular Weight: 247.726
• Hs Code.: 2934999090
• European Community (EC) Number: 825-009-4
• DSSTox Substance ID: DTXSID10393879
• Wikidata: Q82192905
• Mol file: 21431-13-0.mol

Synonyms:2-methyl-1,3-benzothiazole-6-sulfonyl chloride;21431-13-0;2-methylbenzo[d]thiazole-6-sulfonyl chloride;2-Methyl-benzothiazole-6-sulfonyl chloride;2-methylbenzothiazole-6-sulfonyl chloride;SCHEMBL609522;F1967-0194;DTXSID10393879;WAA43113;MFCD03990571;AKOS000301981;VS-0357;2-methylbenzo[d]thiazole-6-sulfonylchloride;CS-0139245;FT-0709393;EN300-79478;C77660;2-Methyl-1,3-benzothiazole-6-sulphonyl chloride;A912420;1,3-Benzothiazole-6-sulfonoyl chloride, 2-methyl-;2-methyl-1,3-benzothiazole-6-sulfonyl chloride, AldrichCPR

Chemical Property of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.19E-05mmHg at 25°C
• Melting Point: 98-101oC
• Boiling Point: 380.5oC at 760 mmHg
• Flash Point: 183.9oC
• PSA: 83.65000
• Density: 1.556g/cm3
• LogP: 3.61300
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 246.9528485
• Heavy Atom Count: 14
• Complexity: 314

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-1,3-benzothiazole-6-sulfonyl chloride 95.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl