Home Other Building Blocks 4-methyl-2-(phenylsulfanyl)benzoic acid

4-methyl-2-(phenylsulfanyl)benzoic acid

CAS No.:
90133-36-1
Catalog Number:
AG01A6PD
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
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Product Description
Catalog Number:
AG01A6PD
Chemical Name:
4-methyl-2-(phenylsulfanyl)benzoic acid
CAS Number:
90133-36-1
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD18011579
IUPAC Name:
4-methyl-2-phenylsulfanylbenzoic acid
InChI:
InChI=1S/C14H12O2S/c1-10-7-8-12(14(15)16)13(9-10)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChI Key:
PREFCHUEVYJUBS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Sc1ccccc1)C(=O)O
Properties
Complexity:
261  
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:
4.9  
Properties