sodium;hydride;phenyl 2-methylpropane-2-sulfinate

C10H15NaO2S — CID 174955645

IUPACsodium;hydride;phenyl 2-methylpropane-2-sulfinate
SMILESCC(C)(C)S(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H14O2S.Na.H/c1-10(2,3)13(11)12-9-7-5-4-6-8-9;;/h4-8H,1-3H3;;/q;+1;-1
InChIKeyKOUNIURBXKZTSU-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.36
Rot. Bonds2

About sodium;hydride;phenyl 2-methylpropane-2-sulfinate

sodium;hydride;phenyl 2-methylpropane-2-sulfinate (PubChem CID 174955645) has the molecular formula C10H15NaO2S and a molecular weight of 222.28 g/mol. Its IUPAC name is sodium;hydride;phenyl 2-methylpropane-2-sulfinate.

Molecular Properties

Compound Namesodium;hydride;phenyl 2-methylpropane-2-sulfinate
PubChem CID174955645
Molecular FormulaC10H15NaO2S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Namesodium;hydride;phenyl 2-methylpropane-2-sulfinate
SMILESCC(C)(C)S(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H14O2S.Na.H/c1-10(2,3)13(11)12-9-7-5-4-6-8-9;;/h4-8H,1-3H3;;/q;+1;-1
InChIKeyKOUNIURBXKZTSU-UHFFFAOYSA-N
XLogP-0.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenyl 2-methylpropane-2-sulfinate?
The IUPAC name of sodium;hydride;phenyl 2-methylpropane-2-sulfinate (CID 174955645) is sodium;hydride;phenyl 2-methylpropane-2-sulfinate.
What is the SMILES notation for sodium;hydride;phenyl 2-methylpropane-2-sulfinate?
The canonical SMILES for sodium;hydride;phenyl 2-methylpropane-2-sulfinate is CC(C)(C)S(=O)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenyl 2-methylpropane-2-sulfinate?
The InChIKey is KOUNIURBXKZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S.Na.H/c1-10(2,3)13(11)12-9-7-5-4-6-8-9;;/h4-8H,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;phenyl 2-methylpropane-2-sulfinate?
sodium;hydride;phenyl 2-methylpropane-2-sulfinate has a molecular weight of 222.28 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenyl 2-methylpropane-2-sulfinate is sourced from PubChem (CID 174955645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).