2-fluoro-6-[(4-methylphenyl)sulfanyl]benzonitrile

2-fluoro-6-[(4-methylphenyl)sulfanyl]benzonitrile

CAS: 175204-11-2

Formula: C14H10FNS

SMILES: CC1=CC=C(SC2=C(C#N)C(F)=CC=C2)C=C1

IUPAC: 2-fluoro-6-[(4-methylphenyl)sulfanyl]benzonitrile

InChI: InChI=1S/C14H10FNS/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/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	MDOVOQVAOKWRLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.72
Topological Polar Surface Area	23.79
Polarizability	26.2
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	175204-11-2		$185.27$185.27