dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

C10H15O4PS2 — CID 19577

IUPACdimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(S(C)=O)c(C)c1
InChIInChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
InChIKeyDLAPIMGBBDILHJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.63
Rot. Bonds5

About dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 19577) has the molecular formula C10H15O4PS2 and a molecular weight of 294.33 g/mol. Its IUPAC name is dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
PubChem CID19577
Molecular FormulaC10H15O4PS2
Molecular Weight294.33 g/mol
Exact Mass294.01
IUPAC Namedimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(S(C)=O)c(C)c1
InChIInChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
InChIKeyDLAPIMGBBDILHJ-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane (CID 19577) is dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is COP(=S)(OC)Oc1ccc(S(C)=O)c(C)c1.
What is the InChIKey of dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is DLAPIMGBBDILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3.
What are the key properties of dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?
dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 294.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 19577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).