Home Aldehydes Benzaldehyde, 4-[(4-methylphenyl)thio]-

Benzaldehyde, 4-[(4-methylphenyl)thio]-

CAS No.:
141339-95-9
Catalog Number:
AG00HVZR
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
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Product Description
Catalog Number:
AG00HVZR
Chemical Name:
Benzaldehyde, 4-[(4-methylphenyl)thio]-
CAS Number:
141339-95-9
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
MDL Number:
MFCD04369427
IUPAC Name:
4-(4-methylphenyl)sulfanylbenzaldehyde
InChI:
InChI=1S/C14H12OS/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChI Key:
CAXODQYDWCYSBN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Sc1ccc(cc1)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.309g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties