3-chloro-2-[2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-5-(trifluoromethyl)pyridine

CAS: 338420-97-6

Formula: C12H7ClF3N5S

SMILES: CSC1=NN2C=C(C=NC2=N1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: 3-chloro-2-[2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C12H7ClF3N5S/c1-22-11-19-10-18-3-6(5-21(10)20-11)9-8(13)2-7(4-17-9)12(14,15)16/h2-5H,1H3

Composition: C (41.69%), H (2.04%), Cl (10.25%), F (16.49%), N (20.26%), S (9.27%)

Molar Mass: 345.73

Atom Count: 29

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	345.0062786
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VMTSMLIEVXSSPG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.7
Topological Polar Surface Area	55.97
Polarizability	29.58
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	338420-97-6		$51.35-$86.31$51.35$63.37$86.31