5-(5-Methyl-4-nitro-2-thienyl)-1,3,4-oxathiazol-2-one

Base Information

• Chemical Name: 5-(5-Methyl-4-nitro-2-thienyl)-1,3,4-oxathiazol-2-one
• CAS No.: 192880-96-9
• Molecular Formula: C7H4N2O4S2
• Molecular Weight: 244.24800
• European Community (EC) Number: 664-045-3
• DSSTox Substance ID: DTXSID70426697
• Nikkaji Number: J2.755.288I
• Wikidata: Q82239525
• Pharos Ligand ID: 95RZCTTKBS15
• ChEMBL ID: CHEMBL2336253

Synonyms:5-(2-methyl-3-nitrothiophen-2-yl)-1,3,4-oxathiazol-2-one;HT1171

Chemical Property of 5-(5-Methyl-4-nitro-2-thienyl)-1,3,4-oxathiazol-2-one

Chemical Property:

• PSA: 145.40000
• LogP: 2.56460
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 243.96124896
• Heavy Atom Count: 15
• Complexity: 340

Purity/Quality:

HT1171 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(S1)C2=NSC(=O)O2)[N+](=O)[O-]

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