di(propan-2-yloxy)-sulfanylidenephosphanium

C6H14O2PS+ — CID 6347343

IUPACdi(propan-2-yloxy)-sulfanylidenephosphanium
SMILESCC(C)O[P+](=S)OC(C)C
InChIInChI=1S/C6H14O2PS/c1-5(2)7-9(10)8-6(3)4/h5-6H,1-4H3/q+1
InChIKeyKSYSXKLYBUQIKI-UHFFFAOYSA-N
MW181.22 g/mol
LogP2.61
Rot. Bonds4

About di(propan-2-yloxy)-sulfanylidenephosphanium

di(propan-2-yloxy)-sulfanylidenephosphanium (PubChem CID 6347343) has the molecular formula C6H14O2PS+ and a molecular weight of 181.22 g/mol. Its IUPAC name is di(propan-2-yloxy)-sulfanylidenephosphanium.

Molecular Properties

Compound Namedi(propan-2-yloxy)-sulfanylidenephosphanium
PubChem CID6347343
Molecular FormulaC6H14O2PS+
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Namedi(propan-2-yloxy)-sulfanylidenephosphanium
SMILESCC(C)O[P+](=S)OC(C)C
InChIInChI=1S/C6H14O2PS/c1-5(2)7-9(10)8-6(3)4/h5-6H,1-4H3/q+1
InChIKeyKSYSXKLYBUQIKI-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)-sulfanylidenephosphanium?
The IUPAC name of di(propan-2-yloxy)-sulfanylidenephosphanium (CID 6347343) is di(propan-2-yloxy)-sulfanylidenephosphanium.
What is the SMILES notation for di(propan-2-yloxy)-sulfanylidenephosphanium?
The canonical SMILES for di(propan-2-yloxy)-sulfanylidenephosphanium is CC(C)O[P+](=S)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)-sulfanylidenephosphanium?
The InChIKey is KSYSXKLYBUQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2PS/c1-5(2)7-9(10)8-6(3)4/h5-6H,1-4H3/q+1.
What are the key properties of di(propan-2-yloxy)-sulfanylidenephosphanium?
di(propan-2-yloxy)-sulfanylidenephosphanium has a molecular weight of 181.22 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-sulfanylidenephosphanium is sourced from PubChem (CID 6347343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).