3,5-Dimethyl-1,2-oxazole-4-sulfinic acid

Base Information

• Chemical Name: 3,5-Dimethyl-1,2-oxazole-4-sulfinic acid
• CAS No.: 787513-23-9
• Molecular Formula: C5H7 N O3 S
• Molecular Weight: 161.17898
• DSSTox Substance ID: DTXSID90561690
• Wikidata: Q82445542
• Mol file: 787513-23-9.mol

Synonyms:787513-23-9;3,5-dimethylisoxazole-4-sulfinic acid;3,5-Dimethyl-1,2-oxazole-4-sulfinic acid;SCHEMBL3930063;DTXSID90561690

Chemical Property of 3,5-Dimethyl-1,2-oxazole-4-sulfinic acid

Chemical Property:

• PSA: 82.54000
• LogP: 1.73770
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 161.01466426
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)S(=O)O