Home Other Building Blocks 3-((4-Chlorophenyl)thio)butanoic acid

3-((4-Chlorophenyl)thio)butanoic acid

CAS No.:
90919-34-9
Catalog Number:
AG003I44
Molecular Formula:
C10H11ClO2S
Molecular Weight:
230.7111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$148
- +
5g
1 week
United States
$384
- +
10g
1 week
United States
$694
- +
25g
1 week
United States
$1327
- +
Product Description
Catalog Number:
AG003I44
Chemical Name:
3-((4-Chlorophenyl)thio)butanoic acid
CAS Number:
90919-34-9
Molecular Formula:
C10H11ClO2S
Molecular Weight:
230.7111
MDL Number:
MFCD16495868
IUPAC Name:
3-(4-chlorophenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
DSCJEDOCSCNYAI-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)Cl)CC(=O)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.706g/mol
Monoisotopic Mass:
230.017g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties