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Dl-phenylmercapturic acid

CAS No.:
20640-68-0
Catalog Number:
AG002IHJ
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$83
- +
1g
95%
In Stock USA
United States
$165
- +
5g
95%
In Stock USA
United States
$594
- +
10g
95%
In Stock USA
United States
$1057
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Product Description
Catalog Number:
AG002IHJ
Chemical Name:
Dl-phenylmercapturic acid
CAS Number:
20640-68-0
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD00059335
IUPAC Name:
2-acetamido-3-phenylsulfanylpropanoic acid
InChI:
InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
InChI Key:
CICOZWHZVMOPJS-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NC(=O)C)CSc1ccccc1
Properties
Complexity:
252  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
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Properties