4-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

4-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

CAS: 477845-98-0

Formula: C12H8ClF3N2S2

SMILES: CSC1=NC(=CC(SC2=CC=C(Cl)C=C2)=N1)C(F)(F)F

IUPAC: 4-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C12H8ClF3N2S2/c1-19-11-17-9(12(14,15)16)6-10(18-11)20-8-4-2-7(13)3-5-8/h2-6H,1H3

Composition: C (42.80%), H (2.39%), Cl (10.53%), F (16.92%), N (8.32%), S (19.04%)

Molar Mass: 336.78

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.9769528
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JNZVBHYAPUCDHA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	78.83
Topological Polar Surface Area	25.78
Polarizability	29.13
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	477845-98-0		$51.35-$86.31$51.35$63.37$86.31