3-phenyl-6-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine

3-phenyl-6-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine

CAS: 478048-10-1

Formula: C17H9F6N3S

SMILES: FC(F)(F)C1=CC=CC(SC2=NC(=NN=C2C(F)(F)F)C2=CC=CC=C2)=C1

IUPAC: 3-phenyl-6-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine

InChI: InChI=1S/C17H9F6N3S/c18-16(19,20)11-7-4-8-12(9-11)27-15-13(17(21,22)23)25-26-14(24-15)10-5-2-1-3-6-10/h1-9H

Composition: C (50.88%), H (2.26%), F (28.40%), N (10.47%), S (7.99%)

Molar Mass: 401.33

Atom Count: 36

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	401.042137454
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NXNGUOBTYWUBGM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.57
Topological Polar Surface Area	38.67
Polarizability	32.88
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478048-10-1		$51.35-$86.31$51.35$63.37$86.31