thiomersal

Identification (Source:EPA,EU)

ID 363
Name thiomersal
CAS 54-64-8
IUPAC
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
CIPAC
EPA Code
Formula C9H9HgNaO2S
SMILES [Hg](C([H])([H])C([H])([H])[H])Sc1c([H])c([H])c([H])c([H])c1C(=O)[O-].[Na+]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification Bactericides
organomercury fungicides

Properties (Source:PubChem)

Molecular Weight 404.81133
Physical State
AlogP 1.286
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 281.46
Polar Surface Area 126.25

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
Carboxypeptidase (protein family or complex) 84(1,1,1,4) Details
protein kinase C (protein family or complex) 81(1,1,1,1) Details
albumin 46(0,1,3,6) Details
guanylate cyclase 31(0,1,1,1) Details
immunoglobulins (protein family or complex) 30(0,0,3,15) Details
protein a 24(0,0,3,9) Details
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Node List

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