(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane

C9H11Cl2O3PS — CID 100976953

IUPAC(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2O3PS/c1-3-13-15(16,12-2)14-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3
InChIKeyCVTBUUGRPQLARD-UHFFFAOYSA-N
MW301.13 g/mol
LogP4.28
Rot. Bonds5

About (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane

(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane (PubChem CID 100976953) has the molecular formula C9H11Cl2O3PS and a molecular weight of 301.13 g/mol. Its IUPAC name is (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
PubChem CID100976953
Molecular FormulaC9H11Cl2O3PS
Molecular Weight301.13 g/mol
Exact Mass299.95
IUPAC Name(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2O3PS/c1-3-13-15(16,12-2)14-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3
InChIKeyCVTBUUGRPQLARD-UHFFFAOYSA-N
XLogP4.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 17519
CID 87676034
CID 87676034
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 9299
ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate
CID 134828232
(Z)-N-[(2,4-dichlorophenoxy)-ethoxyphosphinothioyl]oxy-1-phenyl-2-(1,2,4-triazol-1-yl)ethanimine
CID 46237851
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
CID 87195057
2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 70262285
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
CID 173330701
(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
CID 158742108
bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane (CID 100976953) is (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane?
The InChIKey is CVTBUUGRPQLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2O3PS/c1-3-13-15(16,12-2)14-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3.
What are the key properties of (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane?
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane has a molecular weight of 301.13 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 100976953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).