Home Other Building Blocks 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid

3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid

CAS No.:
268219-99-4
Catalog Number:
AG007MM9
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$282
- +
1g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG007MM9
Chemical Name:
3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
CAS Number:
268219-99-4
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
MDL Number:
MFCD00237153
IUPAC Name:
3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid
InChI:
InChI=1S/C13H18O3S/c1-13(2,8-12(14)15)17-9-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChI Key:
VLSLXZFZXHZCHI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSC(CC(=O)O)(C)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties