Home Other Building Blocks 4-METHOXY-3-{[(4-METHYLPHENYL)THIO]METHYL}BENZALDEHYDE

4-METHOXY-3-{[(4-METHYLPHENYL)THIO]METHYL}BENZALDEHYDE

CAS No.:
438531-19-2
Catalog Number:
AG00E8HU
Molecular Formula:
C16H16O2S
Molecular Weight:
272.3620
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Product Description
Catalog Number:
AG00E8HU
Chemical Name:
4-METHOXY-3-{[(4-METHYLPHENYL)THIO]METHYL}BENZALDEHYDE
CAS Number:
438531-19-2
Molecular Formula:
C16H16O2S
Molecular Weight:
272.3620
MDL Number:
MFCD01114951
IUPAC Name:
4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]benzaldehyde
InChI:
InChI=1S/C16H16O2S/c1-12-3-6-15(7-4-12)19-11-14-9-13(10-17)5-8-16(14)18-2/h3-10H,11H2,1-2H3
InChI Key:
KIKOGRVQWGXMDJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CSc1ccc(cc1)C)C=O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.087g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.362g/mol
Monoisotopic Mass:
272.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties