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Thiomersal (Thimerosal) PrimeDx ExiPlus, Multi-Compendial, 98%

CAT: 0565-27662-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0565-27662-01Size:10 g
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Description
Part B
CAS Number
54-64-8
UN Code
UN No.: 2025, IMCO Class No.: 6.1, Packing Group: III
Storage Temperature
Room Temperature

Chemical Information

Thimerosal

Thimerosal is an alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. It has a role as an antiseptic drug, a disinfectant, an antifungal drug and a drug allergen. It contains an ethylmercurithiosalicylate.

CAS Number54-64-8
PubChem CID16684434
IUPAC Namesodium (2-carboxylatophenyl)sulfanyl-ethylmercury
Molecular FormulaC9H9HgNaO2S
Molecular Weight404.82
Topological Polar Surface Area65.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity180
SMILES
CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
InChI
InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
InChIKey
RTKIYNMVFMVABJ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Thimerosal
CAS: 54-64-8
CID: 16684434
Formula: C9H9HgNaO2S
MW: 404.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.82
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass405.992739
Monoisotopic Mass405.992739
Topological Polar Surface Area65.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
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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