Home Other Building Blocks 3-methyl-2-(phenylsulfanyl)butanoic acid

3-methyl-2-(phenylsulfanyl)butanoic acid

CAS No.:
57557-60-5
Catalog Number:
AG01A9TY
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
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Product Description
Catalog Number:
AG01A9TY
Chemical Name:
3-methyl-2-(phenylsulfanyl)butanoic acid
CAS Number:
57557-60-5
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD09704678
IUPAC Name:
3-methyl-2-phenylsulfanylbutanoic acid
InChI:
InChI=1S/C11H14O2S/c1-8(2)10(11(12)13)14-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)
InChI Key:
QAKDHYMWCUNISK-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)Sc1ccccc1)C
Properties
Complexity:
186  
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:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties