3-[3,5-bis(trifluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)thiourea

3-[3,5-bis(trifluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)thiourea

CAS: 1024572-85-7

Formula: C15H11F6N3S

SMILES: FC(F)(F)C1=CC(=CC(NC(=S)NCC2=NC=CC=C2)=C1)C(F)(F)F

IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-1-[(pyridin-2-yl)methyl]thiourea

InChI: InChI=1S/C15H11F6N3S/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)24-13(25)23-8-11-3-1-2-4-22-11/h1-7H,8H2,(H2,23,24,25)

Composition: C (47.50%), H (2.92%), F (30.05%), N (11.08%), S (8.45%)

Molar Mass: 379.32

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	379.057787518
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	SLENHPFYYXWNKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.37
Topological Polar Surface Area	36.95
Polarizability	30.75
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1024572-85-7		$51.35-$524.40$51.35$63.37$86.31$524.40