Home Other Building Blocks 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid

3-[4-(Methylsulfanyl)phenyl]phenylacetic acid

CAS No.:
1334500-01-4
Catalog Number:
AG007NFE
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
10g
96%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG007NFE
Chemical Name:
3-[4-(Methylsulfanyl)phenyl]phenylacetic acid
CAS Number:
1334500-01-4
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
MDL Number:
MFCD05981728
IUPAC Name:
2-[3-(4-methylsulfanylphenyl)phenyl]acetic acid
InChI:
InChI=1S/C15H14O2S/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
YOHAYEFGZFABAN-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)CC(=O)O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties