((5-Isobutyl-1,3,4-oxadiazol-2-yl)thio)acetic acid
Basic information
- CAS
893645-15-3- Standard SMILES
CC(C)Cc1nnc(SCC(=O)O)o1- InChIKey
KSCLFFCGNFAAMW-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.05686342
Names & identifiers
- Preferred name
- ((5-Isobutyl-1,3,4-oxadiazol-2-yl)thio)acetic acid
- IUPAC
- 2-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Names & synonyms
((5-isobutyl-1,3,4-oxadiazol-2-yl)thio)acetic acidDTXSID501183777893645-15-3{[5-(2-Methylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid2-[[5-(2-Methylpropyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid
Database identifiers
- CAS
893645-15-3- PubChem CID
- 23006643
- DTXSID
DTXSID501183777
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
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Compound notes
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