Home Other Building Blocks 4-[(2-methylphenyl)sulfanyl]benzoic acid

4-[(2-methylphenyl)sulfanyl]benzoic acid

CAS No.:
851608-77-0
Catalog Number:
AG01A12W
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
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Product Description
Catalog Number:
AG01A12W
Chemical Name:
4-[(2-methylphenyl)sulfanyl]benzoic acid
CAS Number:
851608-77-0
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD04108662
IUPAC Name:
4-(2-methylphenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C14H12O2S/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
HWUWVADZGZZEPU-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Sc1ccc(cc1)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:
3.9  
Properties