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

C10H15O5PS2 — CID 19578

IUPACdimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(S(C)(=O)=O)c(C)c1
InChIInChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
InChIKeyZDHYERRNXRANLI-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.29
Rot. Bonds5

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

dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 19578) has the molecular formula C10H15O5PS2 and a molecular weight of 310.33 g/mol. Its IUPAC name is dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
PubChem CID19578
Molecular FormulaC10H15O5PS2
Molecular Weight310.33 g/mol
Exact Mass310.01
IUPAC Namedimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(S(C)(=O)=O)c(C)c1
InChIInChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
InChIKeyZDHYERRNXRANLI-UHFFFAOYSA-N
XLogP2.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane (CID 19578) is dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane is COP(=S)(OC)Oc1ccc(S(C)(=O)=O)c(C)c1.
What is the InChIKey of dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is ZDHYERRNXRANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3.
What are the key properties of dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 310.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 19578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).