bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium

C14H22PS+ — CID 171100432

IUPACbis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium
SMILESS=[P+](C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C14H22PS/c16-15(13-7-9-1-3-11(13)5-9)14-8-10-2-4-12(14)6-10/h9-14H,1-8H2/q+1
InChIKeyDEKUMLXFEZEAIR-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.31
Rot. Bonds2

About bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium

bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium (PubChem CID 171100432) has the molecular formula C14H22PS+ and a molecular weight of 253.37 g/mol. Its IUPAC name is bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Namebis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium
PubChem CID171100432
Molecular FormulaC14H22PS+
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Namebis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium
SMILESS=[P+](C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C14H22PS/c16-15(13-7-9-1-3-11(13)5-9)14-8-10-2-4-12(14)6-10/h9-14H,1-8H2/q+1
InChIKeyDEKUMLXFEZEAIR-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium?
The IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium (CID 171100432) is bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium.
What is the SMILES notation for bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium?
The canonical SMILES for bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium is S=[P+](C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium?
The InChIKey is DEKUMLXFEZEAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22PS/c16-15(13-7-9-1-3-11(13)5-9)14-8-10-2-4-12(14)6-10/h9-14H,1-8H2/q+1.
What are the key properties of bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium?
bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium has a molecular weight of 253.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium is sourced from PubChem (CID 171100432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).