sodium 2-methylsulfonylphenolate

C7H7NaO3S — CID 139602035

IUPACsodium 2-methylsulfonylphenolate
SMILESCS(=O)(=O)c1ccccc1[O-].[Na+]
InChIInChI=1S/C7H8O3S.Na/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyOOZJQFSOMVFGMD-UHFFFAOYSA-M
MW194.19 g/mol
LogP-2.83
Rot. Bonds1

About sodium 2-methylsulfonylphenolate

sodium 2-methylsulfonylphenolate (PubChem CID 139602035) has the molecular formula C7H7NaO3S and a molecular weight of 194.19 g/mol. Its IUPAC name is sodium 2-methylsulfonylphenolate.

Molecular Properties

Compound Namesodium 2-methylsulfonylphenolate
PubChem CID139602035
Molecular FormulaC7H7NaO3S
Molecular Weight194.19 g/mol
Exact Mass194.00
IUPAC Namesodium 2-methylsulfonylphenolate
SMILESCS(=O)(=O)c1ccccc1[O-].[Na+]
InChIInChI=1S/C7H8O3S.Na/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyOOZJQFSOMVFGMD-UHFFFAOYSA-M
XLogP-2.83
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
1-methylsulfonylnaphthalene
CID 11206535
(2-methylsulfonylphenyl)-phenylphosphane
CID 71101597
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
2-methylsulfonylbenzenediazonium
CID 160989192
2,6-bis(methylsulfonyl)benzaldehyde
CID 125449383
fluoro 2-methylsulfonylbenzoate
CID 118224514
1-methyl-2-methylsulfonylbenzene;prop-1-ene
CID 142083462
4-(2-methylsulfonylphenyl)-1H-pyrrole-3-carbonitrile
CID 71413013
4-(2-methylsulfonylphenyl)benzonitrile
CID 22323113
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
diphenylphosphanyl-(2-methylsulfonylphenyl)methanone
CID 12576801

Frequently Asked Questions

What is the IUPAC name of sodium 2-methylsulfonylphenolate?
The IUPAC name of sodium 2-methylsulfonylphenolate (CID 139602035) is sodium 2-methylsulfonylphenolate.
What is the SMILES notation for sodium 2-methylsulfonylphenolate?
The canonical SMILES for sodium 2-methylsulfonylphenolate is CS(=O)(=O)c1ccccc1[O-].[Na+].
What is the InChIKey of sodium 2-methylsulfonylphenolate?
The InChIKey is OOZJQFSOMVFGMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3S.Na/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5,8H,1H3;/q;+1/p-1.
What are the key properties of sodium 2-methylsulfonylphenolate?
sodium 2-methylsulfonylphenolate has a molecular weight of 194.19 g/mol, XLogP of -2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylsulfonylphenolate is sourced from PubChem (CID 139602035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).