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ethyl 2-[(2,6-dimethylquinolin-4-yl)sulfanyl]acetate

ethyl 2-[(2,6-dimethylquinolin-4-yl)sulfanyl]acetate

Formula: C15H17NO2S

SMILES: CCOC(=O)CSC1=CC(C)=NC2=CC=C(C)C=C12

IUPAC: ethyl 2-[(2,6-dimethylquinolin-4-yl)sulfanyl]acetate

InChI: InChI=1S/C15H17NO2S/c1-4-18-15(17)9-19-14-8-11(3)16-13-6-5-10(2)7-12(13)14/h5-8H,4,9H2,1-3H3

Composition: C (65.43%), H (6.22%), N (5.09%), O (11.62%), S (11.64%)

Molar Mass: 275.37

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 275.097999965
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YJAUJELHIOXUDS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.12
Topological Polar Surface Area 39.19
Polarizability 31.66
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H17NO2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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