Home Other Building Blocks 3-Methyl-4-(4-methylthiophenyl)benzoic acid

3-Methyl-4-(4-methylthiophenyl)benzoic acid

CAS No.:
1261964-62-8
Catalog Number:
AG000S9C
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$219
- +
1g
98%
In Stock USA
United States
$469
- +
Product Description
Catalog Number:
AG000S9C
Chemical Name:
3-Methyl-4-(4-methylthiophenyl)benzoic acid
CAS Number:
1261964-62-8
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
MDL Number:
MFCD18320515
IUPAC Name:
3-methyl-4-(4-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2S/c1-10-9-12(15(16)17)5-8-14(10)11-3-6-13(18-2)7-4-11/h3-9H,1-2H3,(H,16,17)
InChI Key:
HBKOVFPUJPLUEW-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties