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

C9H10Cl3O3PS — CID 17519

IUPACethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
SMILESCCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3O3PS/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3
InChIKeyHBKPGGUHRZPDIE-UHFFFAOYSA-N
MW335.58 g/mol
LogP4.93
Rot. Bonds5

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

ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane (PubChem CID 17519) has the molecular formula C9H10Cl3O3PS and a molecular weight of 335.58 g/mol. Its IUPAC name is ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
PubChem CID17519
Molecular FormulaC9H10Cl3O3PS
Molecular Weight335.58 g/mol
Exact Mass333.92
IUPAC Nameethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
SMILESCCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3O3PS/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3
InChIKeyHBKPGGUHRZPDIE-UHFFFAOYSA-N
XLogP4.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 87676034
CID 87676034
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
CID 173330701
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 9477
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
CID 87195057
1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
CID 10594114
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;2,3-dihydroxybutanedioic acid
CID 175194272
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
CID 24841757
1,2,4-trichloro-5-undecoxybenzene
CID 518118
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
1-butan-2-yloxy-2,4,5-trichlorobenzene
CID 518247

Frequently Asked Questions

What is the IUPAC name of ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
The IUPAC name of ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane (CID 17519) is ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane.
What is the SMILES notation for ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
The canonical SMILES for ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane is CCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
The InChIKey is HBKPGGUHRZPDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3O3PS/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3.
What are the key properties of ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane?
ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane has a molecular weight of 335.58 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane is sourced from PubChem (CID 17519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).