Home Other Building Blocks 4-(pyridin-2-ylsulfanyl)benzoic acid

4-(pyridin-2-ylsulfanyl)benzoic acid

CAS No.:
852952-22-8
Catalog Number:
AG01A818
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
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Product Description
Catalog Number:
AG01A818
Chemical Name:
4-(pyridin-2-ylsulfanyl)benzoic acid
CAS Number:
852952-22-8
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
MDL Number:
MFCD03644666
IUPAC Name:
4-pyridin-2-ylsulfanylbenzoic acid
InChI:
InChI=1S/C12H9NO2S/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)
InChI Key:
ZBGAGYNJDAOUCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Sc1ccccn1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties