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14110-97-5 molecular structure
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sodium chloro(4-sulfonatophenyl)mercury

ChemBase ID: 91218
Molecular Formular: C6H4ClHgNaO3S
Molecular Mass: 415.19193
Monoisotopic Mass: 415.91737995
SMILES and InChIs

SMILES:
[Hg](c1ccc(cc1)S(=O)(=O)[O-])Cl.[Na+]
Canonical SMILES:
Cl[Hg]c1ccc(cc1)S(=O)(=O)[O-].[Na+]
InChI:
InChI=1S/C6H5O3S.ClH.Hg.Na/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H,7,8,9);1H;;/q;;2*+1/p-2
InChIKey:
BPDSRKSETVILKT-UHFFFAOYSA-L

Cite this record

CBID:91218 http://www.chembase.cn/molecule-91218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium chloro(4-sulfonatophenyl)mercury
IUPAC Traditional name
sodium chloro(4-sulfonatophenyl)mercury
Synonyms
Sodium 4-(chloromercuri)benzenesulphonate
CAS Number
14110-97-5
MDL Number
MFCD00009799
PubChem SID
162077922
PubChem CID
3653477

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6775T external link Add to cart Please log in.
Data Source Data ID
PubChem 3653477 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.639558  H Acceptors
H Donor LogD (pH = 5.5) -1.9252994 
LogD (pH = 7.4) -1.9253  Log P 0.3385 
Molar Refractivity 41.1114 cm3 Polarizability 24.332457 Å3
Polar Surface Area 57.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
>290°C expand Show data source
Storage Warning
Toxic/Teratogenic/Light Sensitive/Store at -20oC expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - OR6775T external link
A useful sulfhydryl reagent that reacts with Histidine 225C, a residue of the NhaA-Na/H Antiporter of Escherichia Coli.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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