2-Chloro-4,7-dimethyl-1,3-benzothiazole

Base Information

• Chemical Name: 2-Chloro-4,7-dimethyl-1,3-benzothiazole
• CAS No.: 80945-84-2
• Molecular Formula: C9H8 Cl N S
• Molecular Weight: 197.68452
• Hs Code.: 29342000
• DSSTox Substance ID: DTXSID40365963
• Wikidata: Q82151007
• Mol file: 80945-84-2.mol

Synonyms:80945-84-2;2-Chloro-4,7-dimethylbenzo[d]thiazole;2-chloro-4,7-dimethyl-1,3-benzothiazole;2-Chloro-4,7-dimethylbenzothiazole;SCHEMBL8085492;DTXSID40365963;DIJHKAKLKUEUSL-UHFFFAOYSA-N;AKOS005208528;FT-0688550;EN300-237732;F1910-0027

Chemical Property of 2-Chloro-4,7-dimethyl-1,3-benzothiazole

Chemical Property:

• Boiling Point: 286.1±9.0 °C(Predicted)
• PKA: 0.83±0.30(Predicted)
• PSA: 41.13000
• Density: 1.311±0.06 g/cm3(Predicted)
• LogP: 3.56650
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.0065981
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Chloro-4,7-dimethylbenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)C)SC(=N2)Cl