Home Other Building Blocks 4-acetamido-3-(methylsulfanyl)benzoic acid

4-acetamido-3-(methylsulfanyl)benzoic acid

CAS No.:
1147657-04-2
Catalog Number:
AG019VA0
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019VA0
Chemical Name:
4-acetamido-3-(methylsulfanyl)benzoic acid
CAS Number:
1147657-04-2
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD12197087
IUPAC Name:
4-acetamido-3-methylsulfanylbenzoic acid
InChI:
InChI=1S/C10H11NO3S/c1-6(12)11-8-4-3-7(10(13)14)5-9(8)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
JIIDNHJBFBCZIB-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1NC(=O)C)C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties