3-chloro-2-{[1-(1H-pyrazol-3-yl)ethyl]sulfanyl}-5-(trifluoromethyl)pyridine

3-chloro-2-{[1-(1H-pyrazol-3-yl)ethyl]sulfanyl}-5-(trifluoromethyl)pyridine

CAS: 321534-64-9

Formula: C11H9ClF3N3S

SMILES: CC(SC1=C(Cl)C=C(C=N1)C(F)(F)F)C1=NNC=C1

IUPAC: 3-chloro-2-{[1-(1H-pyrazol-3-yl)ethyl]sulfanyl}-5-(trifluoromethyl)pyridine

InChI: InChI=1/C11H9ClF3N3S/c1-6(9-2-3-17-18-9)19-10-8(12)4-7(5-16-10)11(13,14)15/h2-6H,1H3,(H,17,18)

Composition: C (42.94%), H (2.95%), Cl (11.52%), F (18.52%), N (13.66%), S (10.42%)

Molar Mass: 307.72

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	307.0157807
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MCZMSSSDSPOYGI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.17
Topological Polar Surface Area	41.57
Polarizability	25.72
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	321534-64-9		$51.35-$86.31$51.35$63.37$86.31