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

C8H11O3PS — CID 12951855

IUPACethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
SMILESC#CCOP(=S)(OCC)OCC#C
InChIInChI=1S/C8H11O3PS/c1-4-7-10-12(13,9-6-3)11-8-5-2/h1-2H,6-8H2,3H3
InChIKeySUYZZTCVQQWBLP-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.55
Rot. Bonds6

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

ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 12951855) has the molecular formula C8H11O3PS and a molecular weight of 218.21 g/mol. Its IUPAC name is ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
PubChem CID12951855
Molecular FormulaC8H11O3PS
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Nameethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
SMILESC#CCOP(=S)(OCC)OCC#C
InChIInChI=1S/C8H11O3PS/c1-4-7-10-12(13,9-6-3)11-8-5-2/h1-2H,6-8H2,3H3
InChIKeySUYZZTCVQQWBLP-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane (CID 12951855) is ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane is C#CCOP(=S)(OCC)OCC#C.
What is the InChIKey of ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is SUYZZTCVQQWBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3PS/c1-4-7-10-12(13,9-6-3)11-8-5-2/h1-2H,6-8H2,3H3.
What are the key properties of ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane?
ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 218.21 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12951855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).