sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane

C7H15NaO5S3 — CID 142757294

IUPACsodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane
SMILESCCCCCS(=O)(=O)CCOS(=O)([O-])=S.[Na+]
InChIInChI=1S/C7H16O5S3.Na/c1-2-3-4-6-14(8,9)7-5-12-15(10,11)13;/h2-7H2,1H3,(H,10,11,13);/q;+1/p-1
InChIKeyJJTJIFBWBMNYMP-UHFFFAOYSA-M
MW298.38 g/mol
LogP-2.60
Rot. Bonds8

About sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane

sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane (PubChem CID 142757294) has the molecular formula C7H15NaO5S3 and a molecular weight of 298.38 g/mol. Its IUPAC name is sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane
PubChem CID142757294
Molecular FormulaC7H15NaO5S3
Molecular Weight298.38 g/mol
Exact Mass298.00
IUPAC Namesodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane
SMILESCCCCCS(=O)(=O)CCOS(=O)([O-])=S.[Na+]
InChIInChI=1S/C7H16O5S3.Na/c1-2-3-4-6-14(8,9)7-5-12-15(10,11)13;/h2-7H2,1H3,(H,10,11,13);/q;+1/p-1
InChIKeyJJTJIFBWBMNYMP-UHFFFAOYSA-M
XLogP-2.60
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-octylsulfonylnonane
CID 19089492
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane
CID 24940403
sodium octadecyl 2-oxidosulfonothioyloxyacetate
CID 101176187
1-ethylsulfonylheptane
CID 19089519
sodium dodecane-1-sulfonate
CID 23665726
sodium;pentane-1-sulfonate;hydrate
CID 23693099
cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
CID 86740778
sodium heptacosyl sulfate
CID 155090064
disodium bis(hexadecyl sulfate)
CID 10394875
sodium 3-chloropropoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 88653754
sodium tetradecyl sulfate
CID 23665770

Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane (CID 142757294) is sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane is CCCCCS(=O)(=O)CCOS(=O)([O-])=S.[Na+].
What is the InChIKey of sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane?
The InChIKey is JJTJIFBWBMNYMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16O5S3.Na/c1-2-3-4-6-14(8,9)7-5-12-15(10,11)13;/h2-7H2,1H3,(H,10,11,13);/q;+1/p-1.
What are the key properties of sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane?
sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane has a molecular weight of 298.38 g/mol, XLogP of -2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 142757294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).