200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 1443335-28-1
1443335-28-1 | 3-(n-Hexylthio)benzaldehyde
CAS No: 1443335-28-1 Catalog No: AG01FFEL MDL No:
Product Description
Catalog Number:
AG01FFEL
Chemical Name:
3-(n-Hexylthio)benzaldehyde
CAS Number:
1443335-28-1
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
3-hexylsulfanylbenzaldehyde
InChI:
InChI=1S/C13H18OS/c1-2-3-4-5-9-15-13-8-6-7-12(10-13)11-14/h6-8,10-11H,2-5,9H2,1H3
InChI Key:
WCFYXXYWDCMNBS-UHFFFAOYSA-N
SMILES:
CCCCCCSc1cccc(c1)C=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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.