Home Aldehydes 3-(ethylsulfanyl)benzaldehyde

3-(ethylsulfanyl)benzaldehyde

CAS No.:
87425-00-1
Catalog Number:
AG01ACWS
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
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Product Description
Catalog Number:
AG01ACWS
Chemical Name:
3-(ethylsulfanyl)benzaldehyde
CAS Number:
87425-00-1
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD21760494
IUPAC Name:
3-ethylsulfanylbenzaldehyde
InChI:
InChI=1S/C9H10OS/c1-2-11-9-5-3-4-8(6-9)7-10/h3-7H,2H2,1H3
InChI Key:
LDHDZAYFYCZTCL-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1)C=O
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties