sodium;methylsulfinylmethane;hydroxide;hydrate

C2H9NaO3S — CID 131740685

IUPACsodium;methylsulfinylmethane;hydroxide;hydrate
SMILESCS(C)=O.O.[Na+].[OH-]
InChIInChI=1S/C2H6OS.Na.2H2O/c1-4(2)3;;;/h1-2H3;;2*1H2/q;+1;;/p-1
InChIKeyDOQZUBDBHFLARE-UHFFFAOYSA-M
MW136.15 g/mol
LogP-4.00
Rot. Bonds

About sodium;methylsulfinylmethane;hydroxide;hydrate

sodium;methylsulfinylmethane;hydroxide;hydrate (PubChem CID 131740685) has the molecular formula C2H9NaO3S and a molecular weight of 136.15 g/mol. Its IUPAC name is sodium;methylsulfinylmethane;hydroxide;hydrate.

Molecular Properties

Compound Namesodium;methylsulfinylmethane;hydroxide;hydrate
PubChem CID131740685
Molecular FormulaC2H9NaO3S
Molecular Weight136.15 g/mol
Exact Mass136.02
IUPAC Namesodium;methylsulfinylmethane;hydroxide;hydrate
SMILESCS(C)=O.O.[Na+].[OH-]
InChIInChI=1S/C2H6OS.Na.2H2O/c1-4(2)3;;;/h1-2H3;;2*1H2/q;+1;;/p-1
InChIKeyDOQZUBDBHFLARE-UHFFFAOYSA-M
XLogP-4.00
TPSA78.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methylsulfinylmethane
CID 21183497
potassium methylsulfinylmethane
CID 22410893
hydrogen peroxide;methylsulfinylmethane
CID 175320935
dibromoruthenium;methylsulfinylmethane
CID 15792891
methylsulfinylmethane;rhodium(3+);trichloride
CID 172999990
methylsulfinylmethane;molecular hydrogen
CID 20504873
bis(acetonitrile);methylsulfinylmethane
CID 159795126
cyclohexane;methylsulfinylmethane
CID 19850497
azane;methylsulfinylmethane;ruthenium(3+);trichloride
CID 3081815
sodium;hydride;methanesulfinoperoxoic acid
CID 173264502
CID 172834092
CID 172834092
deuterio(methylsulfinyl)methane
CID 18594457

Frequently Asked Questions

What is the IUPAC name of sodium;methylsulfinylmethane;hydroxide;hydrate?
The IUPAC name of sodium;methylsulfinylmethane;hydroxide;hydrate (CID 131740685) is sodium;methylsulfinylmethane;hydroxide;hydrate.
What is the SMILES notation for sodium;methylsulfinylmethane;hydroxide;hydrate?
The canonical SMILES for sodium;methylsulfinylmethane;hydroxide;hydrate is CS(C)=O.O.[Na+].[OH-].
What is the InChIKey of sodium;methylsulfinylmethane;hydroxide;hydrate?
The InChIKey is DOQZUBDBHFLARE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6OS.Na.2H2O/c1-4(2)3;;;/h1-2H3;;2*1H2/q;+1;;/p-1.
What are the key properties of sodium;methylsulfinylmethane;hydroxide;hydrate?
sodium;methylsulfinylmethane;hydroxide;hydrate has a molecular weight of 136.15 g/mol, XLogP of -4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methylsulfinylmethane;hydroxide;hydrate is sourced from PubChem (CID 131740685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).