Home Other Building Blocks [1-(4-Methoxy-benzylsulfanyl)-cyclohexyl]-acetic acid

[1-(4-Methoxy-benzylsulfanyl)-cyclohexyl]-acetic acid

CAS No.:
87242-92-0
Catalog Number:
AG004MMW
Molecular Formula:
C16H22O3S
Molecular Weight:
294.4091
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (HPLC)
1 week
United States
$170
- +
Product Description
Catalog Number:
AG004MMW
Chemical Name:
[1-(4-Methoxy-benzylsulfanyl)-cyclohexyl]-acetic acid
CAS Number:
87242-92-0
Molecular Formula:
C16H22O3S
Molecular Weight:
294.4091
MDL Number:
MFCD00153490
IUPAC Name:
2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetic acid
InChI:
InChI=1S/C16H22O3S/c1-19-14-7-5-13(6-8-14)12-20-16(11-15(17)18)9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3,(H,17,18)
InChI Key:
BGXNGARHYXNGPK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSC1(CCCCC1)CC(=O)O
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.129g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.409g/mol
Monoisotopic Mass:
294.129g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties