4-chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

4-chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

CAS: 16097-63-5

Formula: C6H4ClF3N2S

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

IUPAC: 4-chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3

Composition: C (31.52%), H (1.76%), Cl (15.51%), F (24.93%), N (12.25%), S (14.02%)

Molar Mass: 228.62

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.9735815
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GOORQLLDZBAQIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.89
Topological Polar Surface Area	25.78
Polarizability	16.84
Ring Count	1
Rotatable Bond Count	2

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