5-Sulfanyl-1,3-benzothiazole-2(3H)-thione

Base Information

• Chemical Name: 5-Sulfanyl-1,3-benzothiazole-2(3H)-thione
• CAS No.: 854060-35-8
• Molecular Formula: C7H5 N S3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00548891
• Wikidata: Q82427739
• Mol file: 854060-35-8.mol

Synonyms:854060-35-8;5-Sulfanyl-1,3-benzothiazole-2(3H)-thione;SCHEMBL1094971;SCHEMBL24805460;DTXSID00548891;AKOS006330192

Chemical Property of 5-Sulfanyl-1,3-benzothiazole-2(3H)-thione

Chemical Property:

• PSA: 118.73000
• LogP: 2.87370
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.95841268
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2,5-BENZOTHIAZOLEDITHIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S)NC(=S)S2