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4-{2-[(2,4,6-trimethylphenyl)sulfanyl]ethyl}pyridine

4-{2-[(2,4,6-trimethylphenyl)sulfanyl]ethyl}pyridine

Formula: C16H19NS

SMILES: CC1=CC(C)=C(SCCC2=CC=NC=C2)C(C)=C1

IUPAC: 4-{2-[(2,4,6-trimethylphenyl)sulfanyl]ethyl}pyridine

InChI: InChI=1S/C16H19NS/c1-12-10-13(2)16(14(3)11-12)18-9-6-15-4-7-17-8-5-15/h4-5,7-8,10-11H,6,9H2,1-3H3

Composition: C (74.66%), H (7.44%), N (5.44%), S (12.46%)

Molar Mass: 257.4

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.12382079
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CBODGGAJHIGZCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.2
Topological Polar Surface Area 12.89
Polarizability 31.01
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H19NS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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