dipotassium;4-methylsulfonylphenol;carbonate

C8H8K2O6S — CID 139243111

IUPACdipotassium;4-methylsulfonylphenol;carbonate
SMILESCS(=O)(=O)c1ccc(O)cc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C7H8O3S.CH2O3.2K/c1-11(9,10)7-4-2-6(8)3-5-7;2-1(3)4;;/h2-5,8H,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyVTCHFMDUOITVMX-UHFFFAOYSA-L
MW310.41 g/mol
LogP-7.64
Rot. Bonds1

About dipotassium;4-methylsulfonylphenol;carbonate

dipotassium;4-methylsulfonylphenol;carbonate (PubChem CID 139243111) has the molecular formula C8H8K2O6S and a molecular weight of 310.41 g/mol. Its IUPAC name is dipotassium;4-methylsulfonylphenol;carbonate.

Molecular Properties

Compound Namedipotassium;4-methylsulfonylphenol;carbonate
PubChem CID139243111
Molecular FormulaC8H8K2O6S
Molecular Weight310.41 g/mol
Exact Mass309.93
IUPAC Namedipotassium;4-methylsulfonylphenol;carbonate
SMILESCS(=O)(=O)c1ccc(O)cc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C7H8O3S.CH2O3.2K/c1-11(9,10)7-4-2-6(8)3-5-7;2-1(3)4;;/h2-5,8H,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyVTCHFMDUOITVMX-UHFFFAOYSA-L
XLogP-7.64
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 5-7.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

formic acid;4-methylsulfonylphenol
CID 175318493
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
4-[1,1,1,3,3,3-hexafluoro-2-(4-methylsulfonylphenyl)propan-2-yl]phenol
CID 21200860
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
bis(4-methylsulfonylphenyl)diazene
CID 14045605
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
CID 175820078
CID 89000842
CID 89000842
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
bis(4-methylsulfonylphenyl) carbonate
CID 139898896
bis[(4-hydroxyphenyl)-dimethyl-λ4-sulfanyl] sulfate
CID 140547892

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-methylsulfonylphenol;carbonate?
The IUPAC name of dipotassium;4-methylsulfonylphenol;carbonate (CID 139243111) is dipotassium;4-methylsulfonylphenol;carbonate.
What is the SMILES notation for dipotassium;4-methylsulfonylphenol;carbonate?
The canonical SMILES for dipotassium;4-methylsulfonylphenol;carbonate is CS(=O)(=O)c1ccc(O)cc1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;4-methylsulfonylphenol;carbonate?
The InChIKey is VTCHFMDUOITVMX-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O3S.CH2O3.2K/c1-11(9,10)7-4-2-6(8)3-5-7;2-1(3)4;;/h2-5,8H,1H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;4-methylsulfonylphenol;carbonate?
dipotassium;4-methylsulfonylphenol;carbonate has a molecular weight of 310.41 g/mol, XLogP of -7.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-methylsulfonylphenol;carbonate is sourced from PubChem (CID 139243111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).