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2-{[2-(trifluoromethyl)quinolin-4-yl]sulfanyl}ethanamine

2-{[2-(trifluoromethyl)quinolin-4-yl]sulfanyl}ethanamine

CAS: 175203-50-6

Formula: C12H11F3N2S

SMILES: NCCSC1=C2C=CC=CC2=NC(=C1)C(F)(F)F

IUPAC: 2-{[2-(trifluoromethyl)quinolin-4-yl]sulfanyl}ethan-1-amine

InChI: InChI=1S/C12H11F3N2S/c13-12(14,15)11-7-10(18-6-5-16)8-3-1-2-4-9(8)17-11/h1-4,7H,5-6,16H2

Composition: C (52.93%), H (4.07%), F (20.93%), N (10.29%), S (11.77%)

Molar Mass: 272.29

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.059504025
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SIVFTOISFTWFPU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.49
Topological Polar Surface Area 38.91
Polarizability 26.15
Ring Count 2
Rotatable Bond Count 4

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