1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one

Base Information

• Chemical Name: 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one
• CAS No.: 80689-18-5
• Molecular Formula: C8H5 N O3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40230506
• Wikidata: Q83111078
• Mol file: 80689-18-5.mol

Synonyms:1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one;80689-18-5;5,6-Methylendioxy-2(3H)-benzothiazolon [German];5,6-Methylendioxy-2(3H)-benzothiazolon;C8H5NO3S;SCHEMBL11347075;DTXSID40230506;C8-H5-N-O3-S;LS-62676

Chemical Property of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one

Chemical Property:

• PSA: 79.56000
• Density: 1.603g/cm³
• LogP: 1.31830
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 194.99901420
• Heavy Atom Count: 13
• Complexity: 248

Purity/Quality:

99%min ^*data from raw suppliers

5,6-METHYLENDIOXY-2(3H)-BENZOTHIAZOLON [GERMAN] 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C3C(=C2)NC(=O)S3