Thimerfonate

CAT: 0931-T202571-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202571-01Size:10 mg

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CAS Number

33305-56-5

Bioactivity

Thimerfonate is an alkylmercury derivative known for its bactericidal activity.

Smiles

O=S(=O)(O)C1=CC=C(S[Hg]CC)C=C1

Molecular Formula

C8H10HgO3S2

Molecular Weight

418.88

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Thimerfonate

RN given refers to parent cpd

CAS Number	33305-56-5
PubChem CID	169497
IUPAC Name	ethyl-(4-sulfophenyl)sulfanylmercury
Molecular Formula	C8H10HgO3S2
Molecular Weight	418.9
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	252

SMILES

CC[Hg]SC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C6H6O3S2.C2H5.Hg/c7-11(8,9)6-3-1-5(10)2-4-6;1-2;/h1-4,10H,(H,7,8,9);1H2,2H3;/q;;+1/p-1

InChIKey

JECYIJAVKWQIKQ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 33305-56-5

CID: 169497

Formula: C8H10HgO3S2

MW: 418.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	419.977780
Monoisotopic Mass	419.977780
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19241969-01	Thimerfonate
GTR19242003-01	Thimerfonate sodium