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1-ethyl-2-[(1E)-2-methoxyprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium

1-ethyl-2-[(1E)-2-methoxyprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium

Formula: C17H18NOS

SMILES: CC[N+]1=C(SC2=C1C1=C(C=CC=C1)C=C2)C=C(/C)OC

IUPAC: 1-ethyl-2-[(1E)-2-methoxyprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium

InChI: InChI=1S/C17H18NOS/c1-4-18-16(11-12(2)19-3)20-15-10-9-13-7-5-6-8-14(13)17(15)18/h5-11H,4H2,1-3H3/q+1/b12-11+

Composition: C (71.80%), H (6.38%), N (4.93%), O (5.63%), S (11.27%)

Molar Mass: 284.4

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 284.110361798
Formal Charge 1
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IAXJZUVRZLMUQC-VAWYXSNFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.92
Topological Polar Surface Area 13.11
Polarizability 34.92
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H18NOS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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