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5-[(4-fluorophenyl)sulfanyl]-3,6-diphenyl-1,2,4-triazine

5-[(4-fluorophenyl)sulfanyl]-3,6-diphenyl-1,2,4-triazine

CAS: 339013-10-4

Formula: C21H14FN3S

SMILES: FC1=CC=C(SC2=NC(=NN=C2C2=CC=CC=C2)C2=CC=CC=C2)C=C1

IUPAC: 5-[(4-fluorophenyl)sulfanyl]-3,6-diphenyl-1,2,4-triazine

InChI: InChI=1S/C21H14FN3S/c22-17-11-13-18(14-12-17)26-21-19(15-7-3-1-4-8-15)24-25-20(23-21)16-9-5-2-6-10-16/h1-14H

Composition: C (70.18%), H (3.93%), F (5.29%), N (11.69%), S (8.92%)

Molar Mass: 359.42

Atom Count: 40

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 359.0892468
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XOVMQFXCRHHNMI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 115.97
Topological Polar Surface Area 38.67
Polarizability 41.23
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339013-10-4 $51.35-$86.31$51.35$63.37$86.31
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