methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane

C7H9O2PS — CID 13201882

IUPACmethyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
SMILESC#CCOP(C)(=S)OCC#C
InChIInChI=1S/C7H9O2PS/c1-4-6-8-10(3,11)9-7-5-2/h1-2H,6-7H2,3H3
InChIKeyIPQMXJYEUANFDZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.23
Rot. Bonds4

About methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane

methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 13201882) has the molecular formula C7H9O2PS and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namemethyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
PubChem CID13201882
Molecular FormulaC7H9O2PS
Molecular Weight188.19 g/mol
Exact Mass188.01
IUPAC Namemethyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
SMILESC#CCOP(C)(=S)OCC#C
InChIInChI=1S/C7H9O2PS/c1-4-6-8-10(3,11)9-7-5-2/h1-2H,6-7H2,3H3
InChIKeyIPQMXJYEUANFDZ-UHFFFAOYSA-N
XLogP1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane (CID 13201882) is methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane is C#CCOP(C)(=S)OCC#C.
What is the InChIKey of methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is IPQMXJYEUANFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2PS/c1-4-6-8-10(3,11)9-7-5-2/h1-2H,6-7H2,3H3.
What are the key properties of methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 188.19 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13201882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).