(dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium

C12H24OPS2+ — CID 88651106

IUPAC(dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium
SMILESO[P+](S)=S(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H24OPS2/c13-14(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13,15H,1-10H2/q+1
InChIKeyXIECQHXLDFQCEM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.42
Rot. Bonds2

About (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium

(dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium (PubChem CID 88651106) has the molecular formula C12H24OPS2+ and a molecular weight of 279.43 g/mol. Its IUPAC name is (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium.

Molecular Properties

Compound Name(dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium
PubChem CID88651106
Molecular FormulaC12H24OPS2+
Molecular Weight279.43 g/mol
Exact Mass279.10
IUPAC Name(dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium
SMILESO[P+](S)=S(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H24OPS2/c13-14(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13,15H,1-10H2/q+1
InChIKeyXIECQHXLDFQCEM-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium?
The IUPAC name of (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium (CID 88651106) is (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium.
What is the SMILES notation for (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium?
The canonical SMILES for (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium is O[P+](S)=S(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium?
The InChIKey is XIECQHXLDFQCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OPS2/c13-14(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13,15H,1-10H2/q+1.
What are the key properties of (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium?
(dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium has a molecular weight of 279.43 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (dicyclohexyl-λ4-sulfanylidene)-hydroxy-sulfanylphosphanium is sourced from PubChem (CID 88651106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).