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

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

CAS No.:
885965-43-5
Catalog Number:
AG003I98
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG003I98
Chemical Name:
3'-(Methylthio)biphenyl-3-carboxylic acid
CAS Number:
885965-43-5
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD06858745
IUPAC Name:
3-(3-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
YQYOLHQFXAEDTK-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
267  
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