disulfanyl-hexyl-oxophosphanium

C6H14OPS2+ — CID 175340407

IUPACdisulfanyl-hexyl-oxophosphanium
SMILESCCCCCC[P+](=O)SS
InChIInChI=1S/C6H13OPS2/c1-2-3-4-5-6-8(7)10-9/h2-6H2,1H3/p+1
InChIKeyUHKRFCJVGSLPAM-UHFFFAOYSA-O
MW197.28 g/mol
LogP3.89
Rot. Bonds6

About disulfanyl-hexyl-oxophosphanium

disulfanyl-hexyl-oxophosphanium (PubChem CID 175340407) has the molecular formula C6H14OPS2+ and a molecular weight of 197.28 g/mol. Its IUPAC name is disulfanyl-hexyl-oxophosphanium.

Molecular Properties

Compound Namedisulfanyl-hexyl-oxophosphanium
PubChem CID175340407
Molecular FormulaC6H14OPS2+
Molecular Weight197.28 g/mol
Exact Mass197.02
IUPAC Namedisulfanyl-hexyl-oxophosphanium
SMILESCCCCCC[P+](=O)SS
InChIInChI=1S/C6H13OPS2/c1-2-3-4-5-6-8(7)10-9/h2-6H2,1H3/p+1
InChIKeyUHKRFCJVGSLPAM-UHFFFAOYSA-O
XLogP3.89
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

hydroxy-octyl-oxophosphanium;nickel
CID 87136142
cobalt(2+);bis(octadecyl-oxido-oxophosphanium)
CID 140747211
bis(heptyl-oxido-oxophosphanium);iron(2+)
CID 87602335
sodium octadecyl-oxido-oxophosphanium
CID 88687817
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
octane;sulfanediol
CID 158810031
ethoxy-octyl-oxophosphanium
CID 14512429
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of disulfanyl-hexyl-oxophosphanium?
The IUPAC name of disulfanyl-hexyl-oxophosphanium (CID 175340407) is disulfanyl-hexyl-oxophosphanium.
What is the SMILES notation for disulfanyl-hexyl-oxophosphanium?
The canonical SMILES for disulfanyl-hexyl-oxophosphanium is CCCCCC[P+](=O)SS.
What is the InChIKey of disulfanyl-hexyl-oxophosphanium?
The InChIKey is UHKRFCJVGSLPAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13OPS2/c1-2-3-4-5-6-8(7)10-9/h2-6H2,1H3/p+1.
What are the key properties of disulfanyl-hexyl-oxophosphanium?
disulfanyl-hexyl-oxophosphanium has a molecular weight of 197.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanyl-hexyl-oxophosphanium is sourced from PubChem (CID 175340407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).