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Home > Aldehydes > 643763-27-3
643763-27-3 | 2-(iso-Butylthio)benzaldehyde
CAS No: 643763-27-3 Catalog No: AG01EWRV MDL No:
Product Description
Catalog Number:
AG01EWRV
Chemical Name:
2-(iso-Butylthio)benzaldehyde
CAS Number:
643763-27-3
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
2-(2-methylpropylsulfanyl)benzaldehyde
InChI:
InChI=1S/C11H14OS/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-7,9H,8H2,1-2H3
InChI Key:
DSFUHCAFTCSSKG-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1SCC(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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