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918882-54-9

918882-54-9 | Benzaldehyde, 2,6-bis[[(4-methoxyphenyl)methyl]thio]-

CAS No: 918882-54-9 Catalog No: AG006MH8 MDL No:

Product Description

Catalog Number:
AG006MH8
Chemical Name:
Benzaldehyde, 2,6-bis[[(4-methoxyphenyl)methyl]thio]-
CAS Number:
918882-54-9
Molecular Formula:
C23H22O3S2
Molecular Weight:
410.5490
IUPAC Name:
2,6-bis[(4-methoxyphenyl)methylsulfanyl]benzaldehyde
InChI:
InChI=1S/C23H22O3S2/c1-25-19-10-6-17(7-11-19)15-27-22-4-3-5-23(21(22)14-24)28-16-18-8-12-20(26-2)13-9-18/h3-14H,15-16H2,1-2H3
InChI Key:
AARHCNQZAYLOTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSc1cccc(c1C=O)SCc1ccc(cc1)OC

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.101g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.546g/mol
Monoisotopic Mass:
410.101g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

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