tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

C9H21O3PS — CID 575347

IUPACtri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
SMILESCC(C)OP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O3PS/c1-7(2)10-13(14,11-8(3)4)12-9(5)6/h7-9H,1-6H3
InChIKeyJROZFHZJIZUHQZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.49
Rot. Bonds6

About tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane (PubChem CID 575347) has the molecular formula C9H21O3PS and a molecular weight of 240.30 g/mol. Its IUPAC name is tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
PubChem CID575347
Molecular FormulaC9H21O3PS
Molecular Weight240.30 g/mol
Exact Mass240.09
IUPAC Nametri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
SMILESCC(C)OP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O3PS/c1-7(2)10-13(14,11-8(3)4)12-9(5)6/h7-9H,1-6H3
InChIKeyJROZFHZJIZUHQZ-UHFFFAOYSA-N
XLogP3.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane (CID 575347) is tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane is CC(C)OP(=S)(OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is JROZFHZJIZUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3PS/c1-7(2)10-13(14,11-8(3)4)12-9(5)6/h7-9H,1-6H3.
What are the key properties of tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 240.30 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 575347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).