5-(2-Phenylpropyl)-1,3,4-oxadiazole-2-thiol
Basic information
- CAS
568559-38-6- Standard SMILES
CC(Cc1n[nH]c(=S)o1)c1ccccc1- InChIKey
NYRWGKXSCPJOSZ-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Names & identifiers
- Preferred name
- 5-(2-Phenylpropyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(2-phenylpropyl)-3H-1,3,4-oxadiazole-2-thione
Names & synonyms
5-(2-phenylpropyl)-1,3,4-oxadiazole-2-thiol568559-38-65-(2-phenylpropyl)-3H-1,3,4-oxadiazole-2-thione5-(2-Phenyl-propyl)-[1,3,4]oxadiazole-2-thiolMLS001005992CHEMBL1448988DTXSID201321231HMS1783K13HMS2678M03TXA55938AKOS008966928SMR000384162
Show more names
CS-0220191EN300-06018G354215-(2-Phenylpropyl)-1,3,4-oxadiazole-2(3H)-thioneZ569173995-(2-phenylpropyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione
Database identifiers
- CAS
568559-38-6- PubChem CID
- 3772452
- DTXSID
DTXSID201321231- ChEMBL
CHEMBL1448988
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility32.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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