2-(benzylsulfanyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole

2-(benzylsulfanyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole

CAS: 339015-40-6

Formula: C16H14N2OS2

SMILES: CSC1=C(C=CC=C1)C1=NN=C(O1)SCC1=CC=CC=C1

IUPAC: 2-(benzylsulfanyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole

InChI: InChI=1S/C16H14N2OS2/c1-20-14-10-6-5-9-13(14)15-17-18-16(19-15)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

Composition: C (61.12%), H (4.49%), N (8.91%), O (5.09%), S (20.39%)

Molar Mass: 314.42

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	314.054755427
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RVRIDSLQTYFKFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.74
Topological Polar Surface Area	38.92
Polarizability	35.14
Ring Count	3
Rotatable Bond Count	5

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