2-((Methylthio)methyl)-1H-benzimidazole-5-sulphonic acid

Base Information

• Chemical Name: 2-((Methylthio)methyl)-1H-benzimidazole-5-sulphonic acid
• CAS No.: 29490-03-7
• Molecular Formula: C9H10 N2 O3 S2
• Molecular Weight: 258.3173
• European Community (EC) Number: 249-665-0
• DSSTox Substance ID: DTXSID70183692
• Nikkaji Number: J250.860E
• Wikidata: Q83054515
• Mol file: 29490-03-7.mol

Synonyms:29490-03-7;2-((Methylthio)methyl)-1H-benzimidazole-5-sulphonic acid;EINECS 249-665-0;2-[(Methylthio)methyl]-1H-benzimidazole-5-sulfonic acid;2-[(METHYLTHIO)METHYL]-1H-BENZIMIDAZOLE-5-SULPHONIC ACID;SCHEMBL10625624;DTXSID70183692;1H-Benzimidazole-5-sulfonic acid, 2-((methylthio)methyl)-

Chemical Property of 2-((Methylthio)methyl)-1H-benzimidazole-5-sulphonic acid

Chemical Property:

• PSA: 116.73000
• Density: 1.568g/cm³
• LogP: 2.75340
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 258.01328453
• Heavy Atom Count: 16
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

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