Basic information
- CAS
332871-60-0- Standard SMILES
CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)o2)cc1- InChIKey
PDRQPLQRWLUFOM-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3S
- Average molar mass
- 292.36 g/mol
- Monoisotopic mass
- 292.08816355
Names & identifiers
- Preferred name
- [5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid
- IUPAC
- 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
- English name
- ([5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl] sulfanyl) acetic acid
- Molecular formula
- C14H16N2O3S
- Molecular weight
- 292.35
Names & synonyms
332871-60-0[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-yl-sulfanyl]-acetic acid2-((5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acidSBB0274662-{5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazol-2-ylthio}acetic acidDTXSID70357735[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acidAKOS000295210ST502577342-((5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-yl)thio)aceticacid
Show more names
([5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl] sulfanyl) acetic acidAcetic acid, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
INTRCHM-FLUR[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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