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Home Sulfos M-Beta-hydroxyethylsulfonyl aniline

M-Beta-hydroxyethylsulfonyl aniline

CAS No.:
5246-57-1
Catalog Number:
AG00I9DV
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$40
- +
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00I9DV
Chemical Name:
M-Beta-hydroxyethylsulfonyl aniline
CAS Number:
5246-57-1
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD00044070
IUPAC Name:
2-(3-aminophenyl)sulfonylethanol
InChI:
InChI=1S/C8H11NO3S/c9-7-2-1-3-8(6-7)13(11,12)5-4-10/h1-3,6,10H,4-5,9H2
InChI Key:
ASASRSMRAPYLQI-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cccc(c1)N
EC Number:
226-046-3
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression. Bioorganic & medicinal chemistry letters 20030224
Properties