[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid

Base Information

• Chemical Name: [5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid
• CAS No.: 332871-60-0
• Molecular Formula: C14H16N2O3S
• Molecular Weight: 292.35
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70357735
• Wikidata: Q82137789
• Mol file: 332871-60-0.mol

Synonyms:332871-60-0;[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid;2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid;2-((5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid;2-{[5-(4-TERT-BUTYLPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETIC ACID;SBB027466;DTXSID70357735;[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid;AKOS000295210;2-((5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-yl)thio)aceticacid

Chemical Property of [5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid

Chemical Property:

• PSA: 101.52000
• LogP: 3.21080
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 292.08816355
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

98%min ^*data from raw suppliers

[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)O