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Acetazolamide EP Impurity F

CAT: 1596-AR-A01203-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01203-01Size:50 Units
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CAS Number
80495-47-2
Synonyms
N, N'- (5,5'- ((hydrosulfonylamino) sulfonyl) bis (1,3,4-thiadiazole-5,2-diyl) ) diacetamide
Molecular Formula
C8H9N7O6S4
Molecular Weight
427.46
API Name
Acetazolamide

Chemical Information

Bis(5-(acetylamino)-1,3,4-thiadiazole-2-sulfonyl)amine
CAS Number80495-47-2
PubChem CID71314018
IUPAC NameN-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
Molecular FormulaC8H9N7O6S4
Molecular Weight427.5
XLogP-1.4
Topological Polar Surface Area263
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity669
SMILES
CC(=O)NC1=NN=C(S1)S(=O)(=O)NS(=O)(=O)C2=NN=C(S2)NC(=O)C
InChI
InChI=1S/C8H9N7O6S4/c1-3(16)9-5-11-13-7(22-5)24(18,19)15-25(20,21)8-14-12-6(23-8)10-4(2)17/h15H,1-2H3,(H,9,11,16)(H,10,12,17)
InChIKey
IFHVLEPJWVZZBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(5-(acetylamino)-1,3,4-thiadiazole-2-sulfonyl)amine
CAS: 80495-47-2
CID: 71314018
Formula: C8H9N7O6S4
MW: 427.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight427.5
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass426.94971573
Monoisotopic Mass426.94971573
Topological Polar Surface Area263 Ų
Heavy Atom Count25
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes