6-Methoxy-4-methyl-2(3H)-benzothiazolone

Base Information

• Chemical Name: 6-Methoxy-4-methyl-2(3H)-benzothiazolone
• CAS No.: 80689-16-3
• Molecular Formula: C9H9NO2S
• Molecular Weight: 195.24
• DSSTox Substance ID: DTXSID80230505
• Wikidata: Q72490382
• Mol file: 80689-16-3.mol

Synonyms:6-Methoxy-4-methyl-2(3H)-benzothiazolone;80689-16-3;6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one;2(3H)-Benzothiazolone, 6-methoxy-4-methyl-;6-methoxy-4-methylbenzo[d]thiazol-2(3H)-one;6-Methoxy-4-methyl-2(3H)-benzothiazolon;2(3H)-Benzothiazolone,6-methoxy-4-methyl-;6-Methoxy-4-methyl-2(3H)-benzothiazolon [German];6-methoxy-4-methyl-2,3-dihydro-1,3-benzothiazol-2-one;SCHEMBL11342556;DTXSID80230505;AKOS006276543;LS-40932

Chemical Property of 6-Methoxy-4-methyl-2(3H)-benzothiazolone

Chemical Property:

• Refractive Index: 1.61
• PKA: 10.07±0.20(Predicted)
• PSA: 70.33000
• Density: 1.294g/cm³
• LogP: 1.90660
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.03539970
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

6-METHOXY-4-METHYL-2(3H)-BENZOTHIAZOLONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1NC(=O)S2)OC