3-fluoro-4'-(methylsulfanyl)-[1,1'-biphenyl]-4-carbonitrile

3-fluoro-4'-(methylsulfanyl)-[1,1'-biphenyl]-4-carbonitrile

CAS: 1381944-29-1

Formula: C14H10FNS

SMILES: CSC1=CC=C(C=C1)C1=CC=C(C#N)C(F)=C1

IUPAC: 3-fluoro-4'-(methylsulfanyl)-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C14H10FNS/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3

Composition: C (69.11%), H (4.14%), F (7.81%), N (5.76%), S (13.18%)

Molar Mass: 243.3

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	243.051798663
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WSYKTWQDJFYUPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.89
Topological Polar Surface Area	23.79
Polarizability	27.66
Ring Count	2
Rotatable Bond Count	2

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