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78832-95-8 | Benzaldehyde, 4-[(phenylmethyl)thio]-
CAS No: 78832-95-8 Catalog No: AG005P4G MDL No:MFCD18887727
Product Description
Catalog Number:
AG005P4G
Chemical Name:
Benzaldehyde, 4-[(phenylmethyl)thio]-
CAS Number:
78832-95-8
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
MDL Number:
MFCD18887727
IUPAC Name:
4-benzylsulfanylbenzaldehyde
InChI:
InChI=1S/C14H12OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2
InChI Key:
NAEZWYYYMVTEIV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)SCc1ccccc1
Properties
Complexity:
203
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:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 4,6-Bis[4-(benzyl-sulfan-yl)styr-yl]-2-(methyl-sulfan-yl)pyrimidine. | Acta crystallographica. Section E, Structure reports online 20080101 |
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