Home Aldehydes 4-[(methylsulfanyl)methyl]benzaldehyde

4-[(methylsulfanyl)methyl]benzaldehyde

CAS No.:
95068-17-0
Catalog Number:
AG01BK9C
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
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Product Description
Catalog Number:
AG01BK9C
Chemical Name:
4-[(methylsulfanyl)methyl]benzaldehyde
CAS Number:
95068-17-0
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD28653351
IUPAC Name:
4-(methylsulfanylmethyl)benzaldehyde
InChI:
InChI=1S/C9H10OS/c1-11-7-9-4-2-8(6-10)3-5-9/h2-6H,7H2,1H3
InChI Key:
SNLKCTMXEHHZFN-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)C=O
Properties
Complexity:
117  
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:
1.8  
Properties