(2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane

C10H13Cl2O3PS — CID 71309732

IUPAC(2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
SMILES[2H]c1c([2H])c(OP(=S)(OCC)OCC)c(Cl)c([2H])c1Cl
InChIInChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3/i5D,6D,7D
InChIKeyWGOWCPGHOCIHBW-CRSPMMAGSA-N
MW318.18 g/mol
LogP4.67
Rot. Bonds6

About (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane

(2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 71309732) has the molecular formula C10H13Cl2O3PS and a molecular weight of 318.18 g/mol. Its IUPAC name is (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID71309732
Molecular FormulaC10H13Cl2O3PS
Molecular Weight318.18 g/mol
Exact Mass316.99
IUPAC Name(2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
SMILES[2H]c1c([2H])c(OP(=S)(OCC)OCC)c(Cl)c([2H])c1Cl
InChIInChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3/i5D,6D,7D
InChIKeyWGOWCPGHOCIHBW-CRSPMMAGSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane (CID 71309732) is (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane is [2H]c1c([2H])c(OP(=S)(OCC)OCC)c(Cl)c([2H])c1Cl.
What is the InChIKey of (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is WGOWCPGHOCIHBW-CRSPMMAGSA-N. The full InChI is InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3/i5D,6D,7D.
What are the key properties of (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane?
(2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 318.18 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 71309732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).