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1443343-56-3 | 3-(iso-Butylthio)benzaldehyde
CAS No: 1443343-56-3 Catalog No: AG01FF6Y MDL No:
Product Description
Catalog Number:
AG01FF6Y
Chemical Name:
3-(iso-Butylthio)benzaldehyde
CAS Number:
1443343-56-3
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
3-(2-methylpropylsulfanyl)benzaldehyde
InChI:
InChI=1S/C11H14OS/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7,9H,8H2,1-2H3
InChI Key:
MJEIXJIQMDRSLM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)SCC(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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