oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane

C6H14O3PS- — CID 3492517

IUPACoxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)OP([O-])(=S)OC(C)C
InChIInChI=1S/C6H15O3PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3,(H,7,11)/p-1
InChIKeyRPSWUJJTYUNDDU-UHFFFAOYSA-M
MW197.22 g/mol
LogP1.42
Rot. Bonds4

About oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane

oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane (PubChem CID 3492517) has the molecular formula C6H14O3PS- and a molecular weight of 197.22 g/mol. Its IUPAC name is oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameoxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
PubChem CID3492517
Molecular FormulaC6H14O3PS-
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Nameoxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)OP([O-])(=S)OC(C)C
InChIInChI=1S/C6H15O3PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3,(H,7,11)/p-1
InChIKeyRPSWUJJTYUNDDU-UHFFFAOYSA-M
XLogP1.42
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxido-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 oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane (CID 3492517) is oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane is CC(C)OP([O-])(=S)OC(C)C.
What is the InChIKey of oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
The InChIKey is RPSWUJJTYUNDDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O3PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3,(H,7,11)/p-1.
What are the key properties of oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane?
oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane has a molecular weight of 197.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3492517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).