sodium;butylphosphane;dodecane-1-sulfonic acid;hydride

C16H38NaO3PS — CID 174572392

IUPACsodium;butylphosphane;dodecane-1-sulfonic acid;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)O.CCCCP.[H-].[Na+]
InChIInChI=1S/C12H26O3S.C4H11P.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-2-3-4-5;;/h2-12H2,1H3,(H,13,14,15);2-5H2,1H3;;/q;;+1;-1
InChIKeyPUVLZZAUBNHPID-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.57
Rot. Bonds13

About sodium;butylphosphane;dodecane-1-sulfonic acid;hydride

sodium;butylphosphane;dodecane-1-sulfonic acid;hydride (PubChem CID 174572392) has the molecular formula C16H38NaO3PS and a molecular weight of 364.51 g/mol. Its IUPAC name is sodium;butylphosphane;dodecane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;butylphosphane;dodecane-1-sulfonic acid;hydride
PubChem CID174572392
Molecular FormulaC16H38NaO3PS
Molecular Weight364.51 g/mol
Exact Mass364.22
IUPAC Namesodium;butylphosphane;dodecane-1-sulfonic acid;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)O.CCCCP.[H-].[Na+]
InChIInChI=1S/C12H26O3S.C4H11P.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-2-3-4-5;;/h2-12H2,1H3,(H,13,14,15);2-5H2,1H3;;/q;;+1;-1
InChIKeyPUVLZZAUBNHPID-UHFFFAOYSA-N
XLogP2.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
azane;octadecane-1-sulfonic acid
CID 173437409
magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
decane-1-sulfonic acid
CID 157391186
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
magnesium;hydride;pentane-1-sulfonic acid
CID 174919972
CID 87263567
CID 87263567
copper;dodecane-1-sulfonic acid
CID 87837218
gold;pentane-1-sulfonic acid
CID 174800543

Frequently Asked Questions

What is the IUPAC name of sodium;butylphosphane;dodecane-1-sulfonic acid;hydride?
The IUPAC name of sodium;butylphosphane;dodecane-1-sulfonic acid;hydride (CID 174572392) is sodium;butylphosphane;dodecane-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;butylphosphane;dodecane-1-sulfonic acid;hydride?
The canonical SMILES for sodium;butylphosphane;dodecane-1-sulfonic acid;hydride is CCCCCCCCCCCCS(=O)(=O)O.CCCCP.[H-].[Na+].
What is the InChIKey of sodium;butylphosphane;dodecane-1-sulfonic acid;hydride?
The InChIKey is PUVLZZAUBNHPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S.C4H11P.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-2-3-4-5;;/h2-12H2,1H3,(H,13,14,15);2-5H2,1H3;;/q;;+1;-1.
What are the key properties of sodium;butylphosphane;dodecane-1-sulfonic acid;hydride?
sodium;butylphosphane;dodecane-1-sulfonic acid;hydride has a molecular weight of 364.51 g/mol, XLogP of 2.57, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butylphosphane;dodecane-1-sulfonic acid;hydride is sourced from PubChem (CID 174572392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).