Home Other Building Blocks 4-[4-(methylsulfanyl)phenyl]butanoic acid

4-[4-(methylsulfanyl)phenyl]butanoic acid

CAS No.:
116174-33-5
Catalog Number:
AG01C43D
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
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Product Description
Catalog Number:
AG01C43D
Chemical Name:
4-[4-(methylsulfanyl)phenyl]butanoic acid
CAS Number:
116174-33-5
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD12196507
IUPAC Name:
4-(4-methylsulfanylphenyl)butanoic acid
InChI:
InChI=1S/C11H14O2S/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChI Key:
IFWFPNDGJSIBFG-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CCCC(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties