2-Ethyl-5-(4-(tritylthio)phenyl)-1,3,4-oxadiazole

HCID 68488331

Notes Reactions

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Basic information

CAS: 883738-35-0
Standard SMILES: CCc1nnc(-c2ccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)o1
InChIKey: JBJCKKNMEVGRLR-UHFFFAOYSA-N
Molecular formula: C29H24N2OS
Average molar mass: 448.6 g/mol
Monoisotopic mass: 448.16093457

Names & identifiers

Preferred name: 2-Ethyl-5-(4-(tritylthio)phenyl)-1,3,4-oxadiazole
IUPAC: 2-ethyl-5-(4-tritylsulfanylphenyl)-1,3,4-oxadiazole

Names & synonyms

SCHEMBL3036811JBJCKKNMEVGRLR-UHFFFAOYSA-NDTXSID2011841522-Ethyl-5-(4-(tritylthio)phenyl)-1,3,4-oxadiazole2-Ethyl-5-[4-[(triphenylmethyl)thio]phenyl]-1,3,4-oxadiazole2-Ethyl-5-{4-[(triphenylmethyl)sulfanyl]phenyl}-1,3,4-oxadiazole883738-35-0

Database identifiers

CAS: 883738-35-0
PubChem CID: 68488331
DTXSID: DTXSID201184152

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 64.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 529

Related reactions

2 records

New reaction record

HRID 2065518As reactantuspto-grants-2012_10

HRID 2234845As reactantuspto-grants-2010_05

Compound notes

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