2-(difluoromethyl)-3-fluoro-6-(methylsulfanyl)benzonitrile

2-(difluoromethyl)-3-fluoro-6-(methylsulfanyl)benzonitrile

CAS: 1672663-81-8

Formula: C9H6F3NS

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

IUPAC: 2-(difluoromethyl)-3-fluoro-6-(methylsulfanyl)benzonitrile

InChI: InChI=1S/C9H6F3NS/c1-14-7-3-2-6(10)8(9(11)12)5(7)4-13/h2-3,9H,1H3

Composition: C (49.77%), H (2.78%), F (26.24%), N (6.45%), S (14.76%)

Molar Mass: 217.21

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.01730486
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HKNCIYPJITXIEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.84
Topological Polar Surface Area	23.79
Polarizability	18.15
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1672663-81-8		$273.64-$422.44$273.64$422.44