hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane

C14H30O2S2 — CID 154274925

IUPAChydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane
SMILESCCCCCCCCCCCCC(C)S(=O)(O)=S
InChIInChI=1S/C14H30O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)18(15,16)17/h14H,3-13H2,1-2H3,(H,15,16,17)
InChIKeyUCJNCQFXZHYKSP-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.91
Rot. Bonds12

About hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane

hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane (PubChem CID 154274925) has the molecular formula C14H30O2S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane
PubChem CID154274925
Molecular FormulaC14H30O2S2
Molecular Weight294.53 g/mol
Exact Mass294.17
IUPAC Namehydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane
SMILESCCCCCCCCCCCCC(C)S(=O)(O)=S
InChIInChI=1S/C14H30O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)18(15,16)17/h14H,3-13H2,1-2H3,(H,15,16,17)
InChIKeyUCJNCQFXZHYKSP-UHFFFAOYSA-N
XLogP4.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentadecane-2-sulfonic acid
CID 22415353
dodecane-2-sulfonic acid
CID 18963549
pentacosan-13-amine;sulfuric acid
CID 135341364
2-methylsulfonyloctane
CID 121274607
3-methyloctadecane-2-sulfonic acid
CID 90874440
1-aminooctadecane-1-sulfonic acid
CID 87917836
(2S)-2-methylpentadecane-1-sulfonic acid
CID 121405460
tetradecane-2,13-disulfonic acid
CID 155491142
heptane;propan-2-ol;sulfuric acid
CID 87329461
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
sulfuric acid;trihexyl(methyl)phosphanium
CID 118386562

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane?
The IUPAC name of hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane (CID 154274925) is hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane is CCCCCCCCCCCCC(C)S(=O)(O)=S.
What is the InChIKey of hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane?
The InChIKey is UCJNCQFXZHYKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)18(15,16)17/h14H,3-13H2,1-2H3,(H,15,16,17).
What are the key properties of hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane?
hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane has a molecular weight of 294.53 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane is sourced from PubChem (CID 154274925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).