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N-{2-[6-methyl-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-5-yl]ethenyl}-3-(trifluoromethyl)aniline

N-{2-[6-methyl-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-5-yl]ethenyl}-3-(trifluoromethyl)aniline

CAS: 477865-93-3

Formula: C16H15F3N4S

SMILES: CC1=NN=C(SCC=C)N=C1C=CNC1=CC(=CC=C1)C(F)(F)F

IUPAC: N-{2-[6-methyl-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-5-yl]ethenyl}-3-(trifluoromethyl)aniline

InChI: InChI=1S/C16H15F3N4S/c1-3-9-24-15-21-14(11(2)22-23-15)7-8-20-13-6-4-5-12(10-13)16(17,18)19/h3-8,10,20H,1,9H2,2H3

Composition: C (54.54%), H (4.29%), F (16.17%), N (15.90%), S (9.10%)

Molar Mass: 352.38

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 352.096952162
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DWRYDINDRHBKRR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.27
Topological Polar Surface Area 50.7
Polarizability 32.99
Ring Count 2
Rotatable Bond Count 7

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90% <2 Days 477865-93-3 $51.35-$86.31$51.35$63.37$86.31
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