oxo-bis(propan-2-ylsulfanyl)phosphanium

C6H14OPS2+ — CID 15063651

IUPACoxo-bis(propan-2-ylsulfanyl)phosphanium
SMILESCC(C)S[P+](=O)SC(C)C
InChIInChI=1S/C6H14OPS2/c1-5(2)9-8(7)10-6(3)4/h5-6H,1-4H3/q+1
InChIKeyJYJADWNPTJZUFJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.93
Rot. Bonds4

About oxo-bis(propan-2-ylsulfanyl)phosphanium

oxo-bis(propan-2-ylsulfanyl)phosphanium (PubChem CID 15063651) has the molecular formula C6H14OPS2+ and a molecular weight of 197.28 g/mol. Its IUPAC name is oxo-bis(propan-2-ylsulfanyl)phosphanium.

Molecular Properties

Compound Nameoxo-bis(propan-2-ylsulfanyl)phosphanium
PubChem CID15063651
Molecular FormulaC6H14OPS2+
Molecular Weight197.28 g/mol
Exact Mass197.02
IUPAC Nameoxo-bis(propan-2-ylsulfanyl)phosphanium
SMILESCC(C)S[P+](=O)SC(C)C
InChIInChI=1S/C6H14OPS2/c1-5(2)9-8(7)10-6(3)4/h5-6H,1-4H3/q+1
InChIKeyJYJADWNPTJZUFJ-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.93
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 oxo-bis(propan-2-ylsulfanyl)phosphanium?
The IUPAC name of oxo-bis(propan-2-ylsulfanyl)phosphanium (CID 15063651) is oxo-bis(propan-2-ylsulfanyl)phosphanium.
What is the SMILES notation for oxo-bis(propan-2-ylsulfanyl)phosphanium?
The canonical SMILES for oxo-bis(propan-2-ylsulfanyl)phosphanium is CC(C)S[P+](=O)SC(C)C.
What is the InChIKey of oxo-bis(propan-2-ylsulfanyl)phosphanium?
The InChIKey is JYJADWNPTJZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OPS2/c1-5(2)9-8(7)10-6(3)4/h5-6H,1-4H3/q+1.
What are the key properties of oxo-bis(propan-2-ylsulfanyl)phosphanium?
oxo-bis(propan-2-ylsulfanyl)phosphanium has a molecular weight of 197.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(propan-2-ylsulfanyl)phosphanium is sourced from PubChem (CID 15063651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).