sodium;hexane-1-sulfinic acid;hydride

C6H15NaO2S — CID 173414906

IUPACsodium;hexane-1-sulfinic acid;hydride
SMILESCCCCCCS(=O)O.[H-].[Na+]
InChIInChI=1S/C6H14O2S.Na.H/c1-2-3-4-5-6-9(7)8;;/h2-6H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyBEUHMOSTFFRWRM-UHFFFAOYSA-N
MW174.24 g/mol
LogP-1.10
Rot. Bonds5

About sodium;hexane-1-sulfinic acid;hydride

sodium;hexane-1-sulfinic acid;hydride (PubChem CID 173414906) has the molecular formula C6H15NaO2S and a molecular weight of 174.24 g/mol. Its IUPAC name is sodium;hexane-1-sulfinic acid;hydride.

Molecular Properties

Compound Namesodium;hexane-1-sulfinic acid;hydride
PubChem CID173414906
Molecular FormulaC6H15NaO2S
Molecular Weight174.24 g/mol
Exact Mass174.07
IUPAC Namesodium;hexane-1-sulfinic acid;hydride
SMILESCCCCCCS(=O)O.[H-].[Na+]
InChIInChI=1S/C6H14O2S.Na.H/c1-2-3-4-5-6-9(7)8;;/h2-6H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyBEUHMOSTFFRWRM-UHFFFAOYSA-N
XLogP-1.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadecane-1-sulfinic acid
CID 20739365
(Z)-octadec-9-ene-1-sulfinic acid
CID 162512733
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
1-heptadecylsulfinylheptadecane
CID 54059826
sodium nonane-1-sulfinate
CID 86740195
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
1-methylsulfinylpentadecane
CID 15553502
1-methylsulfinylicosane
CID 53482744
tetradecylsulfinylmethanol
CID 88782233
4-methyloctane-1-sulfinic acid
CID 174406360

Frequently Asked Questions

What is the IUPAC name of sodium;hexane-1-sulfinic acid;hydride?
The IUPAC name of sodium;hexane-1-sulfinic acid;hydride (CID 173414906) is sodium;hexane-1-sulfinic acid;hydride.
What is the SMILES notation for sodium;hexane-1-sulfinic acid;hydride?
The canonical SMILES for sodium;hexane-1-sulfinic acid;hydride is CCCCCCS(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hexane-1-sulfinic acid;hydride?
The InChIKey is BEUHMOSTFFRWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S.Na.H/c1-2-3-4-5-6-9(7)8;;/h2-6H2,1H3,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;hexane-1-sulfinic acid;hydride?
sodium;hexane-1-sulfinic acid;hydride has a molecular weight of 174.24 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexane-1-sulfinic acid;hydride is sourced from PubChem (CID 173414906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).