diheptoxy-oxo-sulfanylidene-λ6-sulfane

C14H30O3S2 — CID 174817638

IUPACdiheptoxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCCCCCCOS(=O)(=S)OCCCCCCC
InChIInChI=1S/C14H30O3S2/c1-3-5-7-9-11-13-16-19(15,18)17-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyYMFGZNKZDADVHV-UHFFFAOYSA-N
MW310.52 g/mol
LogP4.54
Rot. Bonds14

About diheptoxy-oxo-sulfanylidene-λ6-sulfane

diheptoxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 174817638) has the molecular formula C14H30O3S2 and a molecular weight of 310.52 g/mol. Its IUPAC name is diheptoxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namediheptoxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID174817638
Molecular FormulaC14H30O3S2
Molecular Weight310.52 g/mol
Exact Mass310.16
IUPAC Namediheptoxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCCCCCCOS(=O)(=S)OCCCCCCC
InChIInChI=1S/C14H30O3S2/c1-3-5-7-9-11-13-16-19(15,18)17-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyYMFGZNKZDADVHV-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium dihexyl sulfate
CID 21125103
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
magnesium bis(tricosyl sulfate)
CID 101286759
magnesium icosyl hydrogen sulfate
CID 21125099
butyl hexadecyl sulfate
CID 174632644
sodium dihexadecyl sulfate
CID 23616668
azanium didodecyl sulfate
CID 23617704
dodecyl methyl sulfate
CID 90892566
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
1-chlorosulfonyloxyoctane
CID 54334787
magnesium;hydride;nonyl nonane-1-sulfonate
CID 174803071

Frequently Asked Questions

What is the IUPAC name of diheptoxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of diheptoxy-oxo-sulfanylidene-λ6-sulfane (CID 174817638) is diheptoxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for diheptoxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for diheptoxy-oxo-sulfanylidene-λ6-sulfane is CCCCCCCOS(=O)(=S)OCCCCCCC.
What is the InChIKey of diheptoxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is YMFGZNKZDADVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3S2/c1-3-5-7-9-11-13-16-19(15,18)17-14-12-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of diheptoxy-oxo-sulfanylidene-λ6-sulfane?
diheptoxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 310.52 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diheptoxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 174817638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).