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1443342-34-4 | 4-(iso-Pentylthio)benzaldehyde
CAS No: 1443342-34-4 Catalog No: AG01FF2S MDL No:
Product Description
Catalog Number:
AG01FF2S
Chemical Name:
4-(iso-Pentylthio)benzaldehyde
CAS Number:
1443342-34-4
Molecular Formula:
C13H20OS
Molecular Weight:
224.3623
IUPAC Name:
2-[4-(3-methylbutylsulfanyl)phenyl]ethanol
InChI:
InChI=1S/C13H20OS/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,11,14H,7-10H2,1-2H3
InChI Key:
QTPPGNHNIWQTCD-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)SCCC(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.362g/mol
Monoisotopic Mass:
224.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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