(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane

C10H13Cl2O3PS — CID 7328

IUPAC(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl
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
InChIKeyWGOWCPGHOCIHBW-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.67
Rot. Bonds6

About (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane

(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 7328) has the molecular formula C10H13Cl2O3PS and a molecular weight of 315.16 g/mol. Its IUPAC name is (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID7328
Molecular FormulaC10H13Cl2O3PS
Molecular Weight315.16 g/mol
Exact Mass313.97
IUPAC Name(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl
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
InChIKeyWGOWCPGHOCIHBW-UHFFFAOYSA-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 ≤ 500315.16
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-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane (CID 7328) is (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is WGOWCPGHOCIHBW-UHFFFAOYSA-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.
What are the key properties of (2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane?
(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 315.16 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-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 7328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).