3,5-difluoro-4-(methylsulfanyl)benzoic acid

3,5-difluoro-4-(methylsulfanyl)benzoic acid

Formula: C8H6F2O2S

SMILES: CSC1=C(F)C=C(C=C1F)C(O)=O

IUPAC: 3,5-difluoro-4-(methylsulfanyl)benzoic acid

InChI: InChI=1S/C8H6F2O2S/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)

Composition: C (47.06%), H (2.96%), F (18.61%), O (15.67%), S (15.70%)

Molar Mass: 204.19

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.005656933
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GYAPCIJKGBZQRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.51
Topological Polar Surface Area	37.3
Polarizability	17.1
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H6F2O2S		Quote Only