dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

C4H11O3PS — CID 19374047

IUPACdihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(O)(O)=S
InChIInChI=1S/C4H11O3PS/c1-4(2)3-7-8(5,6)9/h4H,3H2,1-2H3,(H2,5,6,9)
InChIKeyLMPILSLHAQVENA-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.87
Rot. Bonds3

About dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (PubChem CID 19374047) has the molecular formula C4H11O3PS and a molecular weight of 170.17 g/mol. Its IUPAC name is dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
PubChem CID19374047
Molecular FormulaC4H11O3PS
Molecular Weight170.17 g/mol
Exact Mass170.02
IUPAC Namedihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(O)(O)=S
InChIInChI=1S/C4H11O3PS/c1-4(2)3-7-8(5,6)9/h4H,3H2,1-2H3,(H2,5,6,9)
InChIKeyLMPILSLHAQVENA-UHFFFAOYSA-N
XLogP0.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (CID 19374047) is dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is CC(C)COP(O)(O)=S.
What is the InChIKey of dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is LMPILSLHAQVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3PS/c1-4(2)3-7-8(5,6)9/h4H,3H2,1-2H3,(H2,5,6,9).
What are the key properties of dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 170.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 19374047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).