[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane

C10H9Cl4O3PS — CID 24841757

IUPAC[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)O/C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl4O3PS/c1-15-18(19,16-2)17-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+
InChIKeyQPTDIWSEUDEKNK-BJMVGYQFSA-N
MW382.03 g/mol
LogP5.72
Rot. Bonds5

About [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane

[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 24841757) has the molecular formula C10H9Cl4O3PS and a molecular weight of 382.03 g/mol. Its IUPAC name is [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID24841757
Molecular FormulaC10H9Cl4O3PS
Molecular Weight382.03 g/mol
Exact Mass379.88
IUPAC Name[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)O/C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl4O3PS/c1-15-18(19,16-2)17-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+
InChIKeyQPTDIWSEUDEKNK-BJMVGYQFSA-N
XLogP5.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
CID 6913716
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate;2,2-dichloroethenyl dimethyl phosphate
CID 91824752
[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
CID 16769
[(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl phosphate
CID 6445633
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
CID 173330701
ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 17519
[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
CID 15648813
CID 87676034
CID 87676034
[(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
CID 6445634
2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone
CID 58014055
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
CID 87195057
(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane;dihydroxy(oxo)phosphanium
CID 121250367

Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane (CID 24841757) is [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane is COP(=S)(OC)O/C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is QPTDIWSEUDEKNK-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H9Cl4O3PS/c1-15-18(19,16-2)17-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+.
What are the key properties of [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane?
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 382.03 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 24841757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).