ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium

C10H15P2S+ — CID 23566001

IUPACethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium
SMILESCC[P+](=S)CCPc1ccccc1
InChIInChI=1S/C10H15P2S/c1-2-12(13)9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/q+1
InChIKeyYQRSWDIZEIRFKI-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds5

About ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium

ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium (PubChem CID 23566001) has the molecular formula C10H15P2S+ and a molecular weight of 229.25 g/mol. Its IUPAC name is ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Nameethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium
PubChem CID23566001
Molecular FormulaC10H15P2S+
Molecular Weight229.25 g/mol
Exact Mass229.04
IUPAC Nameethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium
SMILESCC[P+](=S)CCPc1ccccc1
InChIInChI=1S/C10H15P2S/c1-2-12(13)9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/q+1
InChIKeyYQRSWDIZEIRFKI-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-oxo-(2-phenylphosphanylethyl)phosphanium
CID 23566003
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
CID 18446087
ethane;ethyl(phenyl)phosphane;neodymium
CID 87739299
butyl(phenyl)phosphane;cyanamide
CID 139534681
triphenyl(9-phenylphosphanylnonyl)phosphanium
CID 90048774
(2,2-dimethyl-3-phenylphosphanylpropyl)-phenylphosphane
CID 87575767
methylsilylmethyl(phenyl)phosphane
CID 175226266
benzene;phenol;propane
CID 157176896
bis(diphenylphosphane);ethanol
CID 175242741

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium?
The IUPAC name of ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium (CID 23566001) is ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium.
What is the SMILES notation for ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium?
The canonical SMILES for ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium is CC[P+](=S)CCPc1ccccc1.
What is the InChIKey of ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium?
The InChIKey is YQRSWDIZEIRFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15P2S/c1-2-12(13)9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/q+1.
What are the key properties of ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium?
ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium has a molecular weight of 229.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium is sourced from PubChem (CID 23566001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).