hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

C5H13O3PS — CID 163934673

IUPAChydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCOP(O)(=S)OCC(C)C
InChIInChI=1S/C5H13O3PS/c1-5(2)4-8-9(6,10)7-3/h5H,4H2,1-3H3,(H,6,10)
InChIKeyRLRFSRNBPQCSJL-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.52
Rot. Bonds4

About hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (PubChem CID 163934673) has the molecular formula C5H13O3PS and a molecular weight of 184.20 g/mol. Its IUPAC name is hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
PubChem CID163934673
Molecular FormulaC5H13O3PS
Molecular Weight184.20 g/mol
Exact Mass184.03
IUPAC Namehydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCOP(O)(=S)OCC(C)C
InChIInChI=1S/C5H13O3PS/c1-5(2)4-8-9(6,10)7-3/h5H,4H2,1-3H3,(H,6,10)
InChIKeyRLRFSRNBPQCSJL-UHFFFAOYSA-N
XLogP1.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (CID 163934673) is hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is COP(O)(=S)OCC(C)C.
What is the InChIKey of hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is RLRFSRNBPQCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3PS/c1-5(2)4-8-9(6,10)7-3/h5H,4H2,1-3H3,(H,6,10).
What are the key properties of hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 184.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 163934673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).