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Thimerfonate sodium

CAT: 0013-GTR19242003-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242003-01Size:50 mg
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Description
Thimerfonate is an organomercury compound with potent bactericidal activity. It has been historically used as a preservative in biological preparations and in research applications, including in vitro microbiological studies, due to its effectiveness against a broad spectrum of microorganisms.
CAS Number
5964-24-9
Smiles
[Na+].O=S (=O) ([O-]) C1=CC=C ([S-][Hg+2][CH2-]C) C=C1
Molecular Formula
C8H9HgNaO3S2
Molecular Weight
440.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thimerfonate Sodium
CAS Number5964-24-9
PubChem CID23689016
IUPAC Namesodium ethyl-(4-sulfonatophenyl)sulfanylmercury
Molecular FormulaC8H9HgNaO3S2
Molecular Weight440.9
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity258
SMILES
CC[Hg]SC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C6H6O3S2.C2H5.Hg.Na/c7-11(8,9)6-3-1-5(10)2-4-6;1-2;;/h1-4,10H,(H,7,8,9);1H2,2H3;;/q;;2*+1/p-2
InChIKey
LUKFIMQJXRYJNK-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Thimerfonate Sodium
CAS: 5964-24-9
CID: 23689016
Formula: C8H9HgNaO3S2
MW: 440.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass441.959724
Monoisotopic Mass441.959724
Topological Polar Surface Area90.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity258
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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