Home Sulfos (Phenylsulfonyl)acetic acid

(Phenylsulfonyl)acetic acid

CAS No.:
3959-23-7
Catalog Number:
AG003C1V
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$66
- +
5g
95%
In Stock USA
United States
$153
- +
Product Description
Catalog Number:
AG003C1V
Chemical Name:
(Phenylsulfonyl)acetic acid
CAS Number:
3959-23-7
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
MDL Number:
MFCD00025042
IUPAC Name:
2-(benzenesulfonyl)acetic acid
InChI:
InChI=1S/C8H8O4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChI Key:
YTEFAALYDTWTLB-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)c1ccccc1
NSC Number:
32353
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.208g/mol
Monoisotopic Mass:
200.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
2,6-Dichloro-1-[(1E)-2-(phenyl-sulfon-yl)ethen-yl]benzene. Acta crystallographica. Section E, Structure reports online 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties