5-Methyl-2-nitrobenzenethiol

Base Information

• Chemical Name: 5-Methyl-2-nitrobenzenethiol
• CAS No.: 119873-35-7
• Molecular Formula: C7H7 N O2 S
• Molecular Weight: 169.2
• DSSTox Substance ID: DTXSID50558147
• Wikidata: Q82440327
• Mol file: 119873-35-7.mol

Synonyms:5-Methyl-2-nitrobenzenethiol;119873-35-7;5-Methyl-2-nitrobenzene-1-thiol;Benzenethiol, 5-methyl-2-nitro-;5-methyl-2-nitrothiophenol;SCHEMBL7494376;DTXSID50558147;EN300-1835775

Chemical Property of 5-Methyl-2-nitrobenzenethiol

Chemical Property:

• PSA: 84.62000
• LogP: 2.71510
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.01974964
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])S

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