Home Other Building Blocks 2-[4-(ethylsulfanyl)phenyl]acetic acid

2-[4-(ethylsulfanyl)phenyl]acetic acid

CAS No.:
3583-58-2
Catalog Number:
AG01A23G
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01A23G
Chemical Name:
2-[4-(ethylsulfanyl)phenyl]acetic acid
CAS Number:
3583-58-2
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD02664816
IUPAC Name:
2-(4-ethylsulfanylphenyl)acetic acid
InChI:
InChI=1S/C10H12O2S/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
ZVLYXVZYZDRFND-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)CC(=O)O
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties