hexyl-oxido-sulfanylidene-λ4-sulfane

C6H13OS2- — CID 89333712

IUPAChexyl-oxido-sulfanylidene-λ4-sulfane
SMILESCCCCCCS([O-])=S
InChIInChI=1S/C6H14OS2/c1-2-3-4-5-6-9(7)8/h2-6H2,1H3,(H,7,8)/p-1
InChIKeyNJWXXCVOONAPFC-UHFFFAOYSA-M
MW165.30 g/mol
LogP1.78
Rot. Bonds5

About hexyl-oxido-sulfanylidene-λ4-sulfane

hexyl-oxido-sulfanylidene-λ4-sulfane (PubChem CID 89333712) has the molecular formula C6H13OS2- and a molecular weight of 165.30 g/mol. Its IUPAC name is hexyl-oxido-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namehexyl-oxido-sulfanylidene-λ4-sulfane
PubChem CID89333712
Molecular FormulaC6H13OS2-
Molecular Weight165.30 g/mol
Exact Mass165.04
IUPAC Namehexyl-oxido-sulfanylidene-λ4-sulfane
SMILESCCCCCCS([O-])=S
InChIInChI=1S/C6H14OS2/c1-2-3-4-5-6-9(7)8/h2-6H2,1H3,(H,7,8)/p-1
InChIKeyNJWXXCVOONAPFC-UHFFFAOYSA-M
XLogP1.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium octadecane-1-sulfinate
CID 23714371
sodium nonane-1-sulfinate
CID 86740195
silver dodecane-1-sulfinate
CID 86740193
lithium;octane;sulfite
CID 122668940
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
CID 161246447
CID 161246447
decane;heptane
CID 159049036
dohexacontane
CID 522644
henoctacontane
CID 22086342
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of hexyl-oxido-sulfanylidene-λ4-sulfane?
The IUPAC name of hexyl-oxido-sulfanylidene-λ4-sulfane (CID 89333712) is hexyl-oxido-sulfanylidene-λ4-sulfane.
What is the SMILES notation for hexyl-oxido-sulfanylidene-λ4-sulfane?
The canonical SMILES for hexyl-oxido-sulfanylidene-λ4-sulfane is CCCCCCS([O-])=S.
What is the InChIKey of hexyl-oxido-sulfanylidene-λ4-sulfane?
The InChIKey is NJWXXCVOONAPFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14OS2/c1-2-3-4-5-6-9(7)8/h2-6H2,1H3,(H,7,8)/p-1.
What are the key properties of hexyl-oxido-sulfanylidene-λ4-sulfane?
hexyl-oxido-sulfanylidene-λ4-sulfane has a molecular weight of 165.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-oxido-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 89333712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).