chloromercury(1+);4-methylbenzenesulfinate

C7H7ClHgO2S — CID 134889927

IUPACchloromercury(1+);4-methylbenzenesulfinate
SMILESCc1ccc(S(=O)[O-])cc1.Cl[Hg+]
InChIInChI=1S/C7H8O2S.ClH.Hg/c1-6-2-4-7(5-3-6)10(8)9;;/h2-5H,1H3,(H,8,9);1H;/q;;+2/p-2
InChIKeyDZUOTIGBWCRKDD-UHFFFAOYSA-L
MW391.24 g/mol
LogP1.92
Rot. Bonds1

About chloromercury(1+);4-methylbenzenesulfinate

chloromercury(1+);4-methylbenzenesulfinate (PubChem CID 134889927) has the molecular formula C7H7ClHgO2S and a molecular weight of 391.24 g/mol. Its IUPAC name is chloromercury(1+);4-methylbenzenesulfinate.

Molecular Properties

Compound Namechloromercury(1+);4-methylbenzenesulfinate
PubChem CID134889927
Molecular FormulaC7H7ClHgO2S
Molecular Weight391.24 g/mol
Exact Mass391.96
IUPAC Namechloromercury(1+);4-methylbenzenesulfinate
SMILESCc1ccc(S(=O)[O-])cc1.Cl[Hg+]
InChIInChI=1S/C7H8O2S.ClH.Hg/c1-6-2-4-7(5-3-6)10(8)9;;/h2-5H,1H3,(H,8,9);1H;/q;;+2/p-2
InChIKeyDZUOTIGBWCRKDD-UHFFFAOYSA-L
XLogP1.92
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

barium(2+);bis(4-methylbenzenesulfinate)
CID 87486582
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343
cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);4-methylbenzenesulfinate;hydrate
CID 50910817
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
4-(4-chlorophenyl)benzenesulfinate
CID 67601139
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
CID 89243325
CID 89243325
benzene-1,3,5-trisulfinate
CID 22598892
6-methyl-9,10-dioxoanthracene-2-sulfinate
CID 159222420
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane
CID 67929941

Frequently Asked Questions

What is the IUPAC name of chloromercury(1+);4-methylbenzenesulfinate?
The IUPAC name of chloromercury(1+);4-methylbenzenesulfinate (CID 134889927) is chloromercury(1+);4-methylbenzenesulfinate.
What is the SMILES notation for chloromercury(1+);4-methylbenzenesulfinate?
The canonical SMILES for chloromercury(1+);4-methylbenzenesulfinate is Cc1ccc(S(=O)[O-])cc1.Cl[Hg+].
What is the InChIKey of chloromercury(1+);4-methylbenzenesulfinate?
The InChIKey is DZUOTIGBWCRKDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O2S.ClH.Hg/c1-6-2-4-7(5-3-6)10(8)9;;/h2-5H,1H3,(H,8,9);1H;/q;;+2/p-2.
What are the key properties of chloromercury(1+);4-methylbenzenesulfinate?
chloromercury(1+);4-methylbenzenesulfinate has a molecular weight of 391.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromercury(1+);4-methylbenzenesulfinate is sourced from PubChem (CID 134889927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).