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128133-76-6 | 3-(benzylsulfanyl)benzaldehyde
CAS No: 128133-76-6 Catalog No: AG01B8N6 MDL No:MFCD21760517
Product Description
Catalog Number:
AG01B8N6
Chemical Name:
3-(benzylsulfanyl)benzaldehyde
CAS Number:
128133-76-6
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
MDL Number:
MFCD21760517
IUPAC Name:
3-benzylsulfanylbenzaldehyde
InChI:
InChI=1S/C14H12OS/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
InChI Key:
RQUVTMHNOTWFMQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)SCc1ccccc1
Properties
Complexity:
211
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
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