bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane

C8H17I2O2PS4 — CID 139619195

IUPACbis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(OCCSCCI)OCCSCCI
InChIInChI=1S/C8H17I2O2PS4/c9-1-5-16-7-3-11-13(14,15)12-4-8-17-6-2-10/h1-8H2,(H,14,15)
InChIKeyPESQDKQTJMYRNO-UHFFFAOYSA-N
MW558.27 g/mol
LogP4.51
Rot. Bonds12

About bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane

bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 139619195) has the molecular formula C8H17I2O2PS4 and a molecular weight of 558.27 g/mol. Its IUPAC name is bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID139619195
Molecular FormulaC8H17I2O2PS4
Molecular Weight558.27 g/mol
Exact Mass557.79
IUPAC Namebis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(OCCSCCI)OCCSCCI
InChIInChI=1S/C8H17I2O2PS4/c9-1-5-16-7-3-11-13(14,15)12-4-8-17-6-2-10/h1-8H2,(H,14,15)
InChIKeyPESQDKQTJMYRNO-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 139619192
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
CID 3063122
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
CID 156593652
CID 156593652
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 23447081
2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 154166943
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane (CID 139619195) is bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane is S=P(S)(OCCSCCI)OCCSCCI.
What is the InChIKey of bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is PESQDKQTJMYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17I2O2PS4/c9-1-5-16-7-3-11-13(14,15)12-4-8-17-6-2-10/h1-8H2,(H,14,15).
What are the key properties of bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane?
bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 558.27 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-iodoethylsulfanyl)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 139619195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).