methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane

C5H12O2PS- — CID 5182206

IUPACmethyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(C)([O-])=S
InChIInChI=1S/C5H13O2PS/c1-5(2)4-7-8(3,6)9/h5H,4H2,1-3H3,(H,6,9)/p-1
InChIKeyYCMIYMJPARQCES-UHFFFAOYSA-M
MW167.19 g/mol
LogP0.96
Rot. Bonds3

About methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane

methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane (PubChem CID 5182206) has the molecular formula C5H12O2PS- and a molecular weight of 167.19 g/mol. Its IUPAC name is methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
PubChem CID5182206
Molecular FormulaC5H12O2PS-
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Namemethyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(C)([O-])=S
InChIInChI=1S/C5H13O2PS/c1-5(2)4-7-8(3,6)9/h5H,4H2,1-3H3,(H,6,9)/p-1
InChIKeyYCMIYMJPARQCES-UHFFFAOYSA-M
XLogP0.96
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.96
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 methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane (CID 5182206) is methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane is CC(C)COP(C)([O-])=S.
What is the InChIKey of methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is YCMIYMJPARQCES-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13O2PS/c1-5(2)4-7-8(3,6)9/h5H,4H2,1-3H3,(H,6,9)/p-1.
What are the key properties of methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 167.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 5182206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).