bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate

C8H28O5P2S — CID 167313663

IUPACbis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate
SMILESCP(C)(C)(C)OS(=O)OP(C)(C)(C)C.O.O
InChIInChI=1S/C8H24O3P2S.2H2O/c1-12(2,3,4)10-14(9)11-13(5,6,7)8;;/h1-8H3;2*1H2
InChIKeyWWAXMSHWZDQJEG-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.92
Rot. Bonds4

About bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate

bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate (PubChem CID 167313663) has the molecular formula C8H28O5P2S and a molecular weight of 298.32 g/mol. Its IUPAC name is bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate.

Molecular Properties

Compound Namebis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate
PubChem CID167313663
Molecular FormulaC8H28O5P2S
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Namebis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate
SMILESCP(C)(C)(C)OS(=O)OP(C)(C)(C)C.O.O
InChIInChI=1S/C8H24O3P2S.2H2O/c1-12(2,3,4)10-14(9)11-13(5,6,7)8;;/h1-8H3;2*1H2
InChIKeyWWAXMSHWZDQJEG-UHFFFAOYSA-N
XLogP0.92
TPSA98.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.92
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 bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate?
The IUPAC name of bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate (CID 167313663) is bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate.
What is the SMILES notation for bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate?
The canonical SMILES for bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate is CP(C)(C)(C)OS(=O)OP(C)(C)(C)C.O.O.
What is the InChIKey of bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate?
The InChIKey is WWAXMSHWZDQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H24O3P2S.2H2O/c1-12(2,3,4)10-14(9)11-13(5,6,7)8;;/h1-8H3;2*1H2.
What are the key properties of bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate?
bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate has a molecular weight of 298.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetramethyl-λ5-phosphanyl) sulfite;dihydrate is sourced from PubChem (CID 167313663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).