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261361-38-0 | 2-(n-Hexylthio)benzaldehyde
CAS No: 261361-38-0 Catalog No: AG01EUN0 MDL No:
Product Description
Catalog Number:
AG01EUN0
Chemical Name:
2-(n-Hexylthio)benzaldehyde
CAS Number:
261361-38-0
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
2-hexylsulfanylbenzaldehyde
InChI:
InChI=1S/C13H18OS/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChI Key:
RUBSFJSAVGHPQE-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccccc1C=O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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