Home Carboxys 4'-(Methylthio)biphenyl-3-carboxylic acid

4'-(Methylthio)biphenyl-3-carboxylic acid

CAS No.:
728918-92-1
Catalog Number:
AG003K9K
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003K9K
Chemical Name:
4'-(Methylthio)biphenyl-3-carboxylic acid
CAS Number:
728918-92-1
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD01165664
IUPAC Name:
3-(4-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
BJBNXCLQJHPZDB-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)C(=O)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties