sodium;dodecyl sulfate;hydrogen sulfite

C12H26NaO7S2- — CID 174946505

IUPACsodium;dodecyl sulfate;hydrogen sulfite
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].O=S([O-])O.[Na+]
InChIInChI=1S/C12H26O4S.Na.H2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;1-4(2)3/h2-12H2,1H3,(H,13,14,15);;(H2,1,2,3)/q;+1;/p-2
InChIKeyMCHZGGZJGDUIBR-UHFFFAOYSA-L
MW369.46 g/mol
LogP-0.27
Rot. Bonds12

About sodium;dodecyl sulfate;hydrogen sulfite

sodium;dodecyl sulfate;hydrogen sulfite (PubChem CID 174946505) has the molecular formula C12H26NaO7S2- and a molecular weight of 369.46 g/mol. Its IUPAC name is sodium;dodecyl sulfate;hydrogen sulfite.

Molecular Properties

Compound Namesodium;dodecyl sulfate;hydrogen sulfite
PubChem CID174946505
Molecular FormulaC12H26NaO7S2-
Molecular Weight369.46 g/mol
Exact Mass369.10
IUPAC Namesodium;dodecyl sulfate;hydrogen sulfite
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].O=S([O-])O.[Na+]
InChIInChI=1S/C12H26O4S.Na.H2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;1-4(2)3/h2-12H2,1H3,(H,13,14,15);;(H2,1,2,3)/q;+1;/p-2
InChIKeyMCHZGGZJGDUIBR-UHFFFAOYSA-L
XLogP-0.27
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
sodium;sulfuric acid;tetradecyl sulfate
CID 87772875
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
copper(1+);dodecyl sulfate
CID 174360133

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl sulfate;hydrogen sulfite?
The IUPAC name of sodium;dodecyl sulfate;hydrogen sulfite (CID 174946505) is sodium;dodecyl sulfate;hydrogen sulfite.
What is the SMILES notation for sodium;dodecyl sulfate;hydrogen sulfite?
The canonical SMILES for sodium;dodecyl sulfate;hydrogen sulfite is CCCCCCCCCCCCOS(=O)(=O)[O-].O=S([O-])O.[Na+].
What is the InChIKey of sodium;dodecyl sulfate;hydrogen sulfite?
The InChIKey is MCHZGGZJGDUIBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H26O4S.Na.H2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;1-4(2)3/h2-12H2,1H3,(H,13,14,15);;(H2,1,2,3)/q;+1;/p-2.
What are the key properties of sodium;dodecyl sulfate;hydrogen sulfite?
sodium;dodecyl sulfate;hydrogen sulfite has a molecular weight of 369.46 g/mol, XLogP of -0.27, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl sulfate;hydrogen sulfite is sourced from PubChem (CID 174946505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).