Home Other Building Blocks 2-[(4-sulfamoylphenyl)sulfanyl]acetic acid

2-[(4-sulfamoylphenyl)sulfanyl]acetic acid

CAS No.:
575446-72-9
Catalog Number:
AG01A7Y2
Molecular Formula:
C8H9NO4S2
Molecular Weight:
247.2914
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Product Description
Catalog Number:
AG01A7Y2
Chemical Name:
2-[(4-sulfamoylphenyl)sulfanyl]acetic acid
CAS Number:
575446-72-9
Molecular Formula:
C8H9NO4S2
Molecular Weight:
247.2914
MDL Number:
MFCD12174023
IUPAC Name:
2-(4-sulfamoylphenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H9NO4S2/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChI Key:
WSYWEZGFWBZGEL-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.283g/mol
Monoisotopic Mass:
246.997g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties