Home Sulfos 2-(1-methyl-1H-pyrazole-4-sulfonamido)acetic acid

2-(1-methyl-1H-pyrazole-4-sulfonamido)acetic acid

CAS No.:
1152914-93-6
Catalog Number:
AG019MU3
Molecular Formula:
C6H9N3O4S
Molecular Weight:
219.2184
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Product Description
Catalog Number:
AG019MU3
Chemical Name:
2-(1-methyl-1H-pyrazole-4-sulfonamido)acetic acid
CAS Number:
1152914-93-6
Molecular Formula:
C6H9N3O4S
Molecular Weight:
219.2184
MDL Number:
MFCD11099526
IUPAC Name:
2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
InChI:
InChI=1S/C6H9N3O4S/c1-9-4-5(2-7-9)14(12,13)8-3-6(10)11/h2,4,8H,3H2,1H3,(H,10,11)
InChI Key:
BZNSBMMNELCTGC-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1cnn(c1)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.215g/mol
Monoisotopic Mass:
219.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties