4-(prop-2-yn-1-ylsulfanyl)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine

4-(prop-2-yn-1-ylsulfanyl)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine

CAS: 338418-25-0

Formula: C13H8F3N3S

SMILES: FC(F)(F)C1=CC(SCC#C)=NC(=N1)C1=NC=CC=C1

IUPAC: 4-(prop-2-yn-1-ylsulfanyl)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C13H8F3N3S/c1-2-7-20-11-8-10(13(14,15)16)18-12(19-11)9-5-3-4-6-17-9/h1,3-6,8H,7H2

Composition: C (52.88%), H (2.73%), F (19.30%), N (14.23%), S (10.86%)

Molar Mass: 295.28

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.039102933
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GNKYIDPPIHIAHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.91
Topological Polar Surface Area	38.67
Polarizability	26.48
Ring Count	2
Rotatable Bond Count	4

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