diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane

C10H10Cl5O2PS2 — CID 23262179

IUPACdiethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl5O2PS2/c1-3-16-18(19,17-4-2)20-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3
InChIKeyZFKUUYKDRXOOMJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP7.34
Rot. Bonds6

About diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane

diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 23262179) has the molecular formula C10H10Cl5O2PS2 and a molecular weight of 434.56 g/mol. Its IUPAC name is diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID23262179
Molecular FormulaC10H10Cl5O2PS2
Molecular Weight434.56 g/mol
Exact Mass431.83
IUPAC Namediethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl5O2PS2/c1-3-16-18(19,17-4-2)20-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3
InChIKeyZFKUUYKDRXOOMJ-UHFFFAOYSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane (CID 23262179) is diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZFKUUYKDRXOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl5O2PS2/c1-3-16-18(19,17-4-2)20-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3.
What are the key properties of diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane?
diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 434.56 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23262179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).