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885965-43-5,MFCD06858745
Catalog No.:AA003I6G
885965-43-5 | 3'-(Methylthio)biphenyl-3-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$556.00   $389.00
- +
5g
98%
in stock  
$1,905.00   $1,334.00
- +
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Technical Information
Catalog Number:
AA003I6G
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
Computed 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  

Synonyms
 
885965-43-5 
3'-(Methylthio)biphenyl-3-carboxylic acid 
3'-(methylthio)biphenyl-3-carboxylicacid 
3-(Methylthio)biphenyl-3-carboxylic acid 
3'-(Methylthio)-[1,1'-biphenyl]-3-carboxylic acid 
CTK5G0887 
ZINC4204285 
MFCD06858745 
AKOS015852546 
3'-Methylsulfanylbiphenyl-3-carboxylic acid 
TR-038193 
M40054 
Literature
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