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Home Aminos 4-([2-(Methylthio)phenyl]amino)-4-oxobutanoic acid

4-([2-(Methylthio)phenyl]amino)-4-oxobutanoic acid

CAS No.:
899016-21-8
Catalog Number:
AG00GTQX
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG00GTQX
Chemical Name:
4-([2-(Methylthio)phenyl]amino)-4-oxobutanoic acid
CAS Number:
899016-21-8
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD06065734
IUPAC Name:
4-(2-methylsulfanylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C11H13NO3S/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChI Key:
VKNIHGOGNLOYHH-UHFFFAOYSA-N
SMILES:
CSc1ccccc1NC(=O)CCC(=O)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties