azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane

C6H18NO3PS — CID 12657005

IUPACazane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)OP(O)(=S)OC(C)C.N
InChIInChI=1S/C6H15O3PS.H3N/c1-5(2)8-10(7,11)9-6(3)4;/h5-6H,1-4H3,(H,7,11);1H3
InChIKeyXEHOSTPBTCWUHR-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.22
Rot. Bonds4

About azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane

azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane (PubChem CID 12657005) has the molecular formula C6H18NO3PS and a molecular weight of 215.25 g/mol. Its IUPAC name is azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
PubChem CID12657005
Molecular FormulaC6H18NO3PS
Molecular Weight215.25 g/mol
Exact Mass215.07
IUPAC Nameazane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)OP(O)(=S)OC(C)C.N
InChIInChI=1S/C6H15O3PS.H3N/c1-5(2)8-10(7,11)9-6(3)4;/h5-6H,1-4H3,(H,7,11);1H3
InChIKeyXEHOSTPBTCWUHR-UHFFFAOYSA-N
XLogP2.22
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane 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 azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane (CID 12657005) is azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane is CC(C)OP(O)(=S)OC(C)C.N.
What is the InChIKey of azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
The InChIKey is XEHOSTPBTCWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3PS.H3N/c1-5(2)8-10(7,11)9-6(3)4;/h5-6H,1-4H3,(H,7,11);1H3.
What are the key properties of azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane has a molecular weight of 215.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12657005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).