cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane

C6H12CoO6S4 — CID 86740778

IUPACcobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
SMILESO=S([O-])(=S)OCCCCCCOS(=O)([O-])=S.[Co+2]
InChIInChI=1S/C6H14O6S4.Co/c7-15(8,13)11-5-3-1-2-4-6-12-16(9,10)14;/h1-6H2,(H,7,8,13)(H,9,10,14);/q;+2/p-2
InChIKeyIEIUMDFBYFYSEG-UHFFFAOYSA-L
MW367.36 g/mol
LogP0.16
Rot. Bonds9

About cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane

cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 86740778) has the molecular formula C6H12CoO6S4 and a molecular weight of 367.36 g/mol. Its IUPAC name is cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namecobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
PubChem CID86740778
Molecular FormulaC6H12CoO6S4
Molecular Weight367.36 g/mol
Exact Mass366.88
IUPAC Namecobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
SMILESO=S([O-])(=S)OCCCCCCOS(=O)([O-])=S.[Co+2]
InChIInChI=1S/C6H14O6S4.Co/c7-15(8,13)11-5-3-1-2-4-6-12-16(9,10)14;/h1-6H2,(H,7,8,13)(H,9,10,14);/q;+2/p-2
InChIKeyIEIUMDFBYFYSEG-UHFFFAOYSA-L
XLogP0.16
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-chloropropoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 88653754
sodium 2-(6-oxidosulfonothioyloxyhexyl)isoindole-1,3-dione
CID 130234058
cobalt(2+);dodecyl sulfate
CID 87268751
sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide
CID 23690128
diheptoxy-oxo-sulfanylidene-λ6-sulfane
CID 174817638
lithium 5-hydroxypentyl sulfate
CID 23563916
12-hydroxydodecyl sulfate
CID 167388974
sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane
CID 142757294
sodium octadecyl 2-oxidosulfonothioyloxyacetate
CID 101176187
oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane;bis(2,2,4-trimethyl-1H-quinolin-1-ium)
CID 70467036
cesium dodecyl sulfate
CID 23711718
copper(1+);dodecyl sulfate
CID 174360133

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane (CID 86740778) is cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane is O=S([O-])(=S)OCCCCCCOS(=O)([O-])=S.[Co+2].
What is the InChIKey of cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is IEIUMDFBYFYSEG-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14O6S4.Co/c7-15(8,13)11-5-3-1-2-4-6-12-16(9,10)14;/h1-6H2,(H,7,8,13)(H,9,10,14);/q;+2/p-2.
What are the key properties of cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane?
cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 367.36 g/mol, XLogP of 0.16, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 86740778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).