Home Other Building Blocks 4-(Methylthio)phenylacetic acid

4-(Methylthio)phenylacetic acid

CAS No.:
16188-55-9
Catalog Number:
AG001VYF
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$113
- +
100g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG001VYF
Chemical Name:
4-(Methylthio)phenylacetic acid
CAS Number:
16188-55-9
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00192325
IUPAC Name:
2-(4-methylsulfanylphenyl)acetic acid
InChI:
InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
AHMLFHMRRBJCRM-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CC(=O)O
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties