Home Other Building Blocks 5-Amino-2-(phenylthio)benzoic acid

5-Amino-2-(phenylthio)benzoic acid

CAS No.:
63185-86-4
Catalog Number:
AG00E9QQ
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (HPLC)
1 week
United States
$151
- +
250mg
≥ 96% (HPLC)
1 week
United States
$257
- +
Product Description
Catalog Number:
AG00E9QQ
Chemical Name:
5-Amino-2-(phenylthio)benzoic acid
CAS Number:
63185-86-4
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD06658325
IUPAC Name:
5-amino-2-phenylsulfanylbenzoic acid
InChI:
InChI=1S/C13H11NO2S/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h1-8H,14H2,(H,15,16)
InChI Key:
MKSHKRLNPIFOSW-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(=O)O)Sc1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties