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Sulfanilic acid monohydrate

CAT: 0013-GTR19241984-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241984-01Size:50 mg
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Description
Sodium sulfanilate, the sodium salt of sulphanilic acid, is a research compound historically used as a diagnostic agent to evaluate renal function in canine models. It serves as a tool for investigating renal physiology and dysfunction in both in vivo and in vitro experimental settings.
CAS Number
6101-32-2
Smiles
O=S (=O) (O) C1=CC=C (N) C=C1.O
Molecular Formula
C6H9NO4S
Molecular Weight
191.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sulfanilic acid monohydrate
CAS Number6101-32-2
PubChem CID57466653
IUPAC Name4-aminobenzenesulfonic acid;hydrate
Molecular FormulaC6H9NO4S
Molecular Weight191.21
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity210
SMILES
C1=CC(=CC=C1N)S(=O)(=O)O.O
InChI
InChI=1S/C6H7NO3S.H2O/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);1H2
InChIKey
SDVQKFCSHBDLMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfanilic acid monohydrate
CAS: 6101-32-2
CID: 57466653
Formula: C6H9NO4S
MW: 191.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.21
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass191.02522894
Monoisotopic Mass191.02522894
Topological Polar Surface Area89.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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