disulfanyl(diethoxy)phosphane

C4H11O2PS2 — CID 15206772

IUPACdisulfanyl(diethoxy)phosphane
SMILESCCOP(OCC)SS
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(9-8)6-4-2/h8H,3-4H2,1-2H3
InChIKeyLLYNJZCCDPMVKP-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.86
Rot. Bonds5

About disulfanyl(diethoxy)phosphane

disulfanyl(diethoxy)phosphane (PubChem CID 15206772) has the molecular formula C4H11O2PS2 and a molecular weight of 186.24 g/mol. Its IUPAC name is disulfanyl(diethoxy)phosphane.

Molecular Properties

Compound Namedisulfanyl(diethoxy)phosphane
PubChem CID15206772
Molecular FormulaC4H11O2PS2
Molecular Weight186.24 g/mol
Exact Mass185.99
IUPAC Namedisulfanyl(diethoxy)phosphane
SMILESCCOP(OCC)SS
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(9-8)6-4-2/h8H,3-4H2,1-2H3
InChIKeyLLYNJZCCDPMVKP-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disulfanyl(diethoxy)phosphane?
The IUPAC name of disulfanyl(diethoxy)phosphane (CID 15206772) is disulfanyl(diethoxy)phosphane.
What is the SMILES notation for disulfanyl(diethoxy)phosphane?
The canonical SMILES for disulfanyl(diethoxy)phosphane is CCOP(OCC)SS.
What is the InChIKey of disulfanyl(diethoxy)phosphane?
The InChIKey is LLYNJZCCDPMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2/c1-3-5-7(9-8)6-4-2/h8H,3-4H2,1-2H3.
What are the key properties of disulfanyl(diethoxy)phosphane?
disulfanyl(diethoxy)phosphane has a molecular weight of 186.24 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanyl(diethoxy)phosphane is sourced from PubChem (CID 15206772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).