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4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]benzaldehyde

4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]benzaldehyde

CAS: 327047-73-4

Formula: C14H13NO2S

SMILES: COC1=CC=C(C=O)C=C1CSC1=CC=CC=N1

IUPAC: 4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]benzaldehyde

InChI: InChI=1S/C14H13NO2S/c1-17-13-6-5-11(9-16)8-12(13)10-18-14-4-2-3-7-15-14/h2-9H,10H2,1H3

Composition: C (64.84%), H (5.05%), N (5.40%), O (12.34%), S (12.36%)

Molar Mass: 259.32

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 259.066699837
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZNIMAFXWOSZUPB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.68
Topological Polar Surface Area 39.19
Polarizability 28.33
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 327047-73-4 $322.40$322.40
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