2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid

Base Information

• Chemical Name: 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid
• CAS No.: 25991-38-2
• Molecular Formula: C8H7 N O3 S3
• Molecular Weight: 261.3411
• NSC Number: 202638
• DSSTox Substance ID: DTXSID20308176
• Wikidata: Q82055899
• Mol file: 25991-38-2.mol

Synonyms:25991-38-2;NSC202638;2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid;DTXSID20308176;NSC-202638

Chemical Property of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.69g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 260.95880661
• Heavy Atom Count: 15
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)O

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