cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane

C7H11OPS2 — CID 101343707

IUPACcyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(S)C1C=CC=C1
InChIInChI=1S/C7H11OPS2/c1-2-8-9(10,11)7-5-3-4-6-7/h3-7H,2H2,1H3,(H,10,11)
InChIKeyPQPRGXLQAIZITA-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.76
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane

cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 101343707) has the molecular formula C7H11OPS2 and a molecular weight of 206.27 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID101343707
Molecular FormulaC7H11OPS2
Molecular Weight206.27 g/mol
Exact Mass206.00
IUPAC Namecyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(S)C1C=CC=C1
InChIInChI=1S/C7H11OPS2/c1-2-8-9(10,11)7-5-3-4-6-7/h3-7H,2H2,1H3,(H,10,11)
InChIKeyPQPRGXLQAIZITA-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 101343707) is cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane is CCOP(=S)(S)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is PQPRGXLQAIZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11OPS2/c1-2-8-9(10,11)7-5-3-4-6-7/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane?
cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 206.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).