bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane

C4H9I2O2PS2 — CID 139619192

IUPACbis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(OCCI)OCCI
InChIInChI=1S/C4H9I2O2PS2/c5-1-3-7-9(10,11)8-4-2-6/h1-4H2,(H,10,11)
InChIKeyKJBBNZNNWWUNPO-UHFFFAOYSA-N
MW438.03 g/mol
LogP3.04
Rot. Bonds6

About bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane

bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 139619192) has the molecular formula C4H9I2O2PS2 and a molecular weight of 438.03 g/mol. Its IUPAC name is bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID139619192
Molecular FormulaC4H9I2O2PS2
Molecular Weight438.03 g/mol
Exact Mass437.79
IUPAC Namebis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(OCCI)OCCI
InChIInChI=1S/C4H9I2O2PS2/c5-1-3-7-9(10,11)8-4-2-6/h1-4H2,(H,10,11)
InChIKeyKJBBNZNNWWUNPO-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.03
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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 bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane (CID 139619192) is bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane is S=P(S)(OCCI)OCCI.
What is the InChIKey of bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is KJBBNZNNWWUNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I2O2PS2/c5-1-3-7-9(10,11)8-4-2-6/h1-4H2,(H,10,11).
What are the key properties of bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 438.03 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 139619192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).