ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane

C10H12Cl3O2PS — CID 9477

IUPACethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
SMILESCCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyANIAQSUBRGXWLS-UHFFFAOYSA-N
MW333.60 g/mol
LogP5.39
Rot. Bonds5

About ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane

ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane (PubChem CID 9477) has the molecular formula C10H12Cl3O2PS and a molecular weight of 333.60 g/mol. Its IUPAC name is ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
PubChem CID9477
Molecular FormulaC10H12Cl3O2PS
Molecular Weight333.60 g/mol
Exact Mass331.94
IUPAC Nameethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
SMILESCCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyANIAQSUBRGXWLS-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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
1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
CID 10594114
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
CID 173330701
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane
CID 90696926
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
CID 87195057
1-butan-2-yloxy-2,4,5-trichlorobenzene
CID 518247
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine
CID 70227629
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;2,3-dihydroxybutanedioic acid
CID 175194272
1,2,4-trichloro-5-undecoxybenzene
CID 518118

Frequently Asked Questions

What is the IUPAC name of ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
The IUPAC name of ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane (CID 9477) is ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane.
What is the SMILES notation for ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
The canonical SMILES for ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane is CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
The InChIKey is ANIAQSUBRGXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3.
What are the key properties of ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane has a molecular weight of 333.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane is sourced from PubChem (CID 9477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).