magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride

C8H10Cl3MgO3PS — CID 173330701

IUPACmagnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
SMILESCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H8Cl3O3PS.Mg.2H/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11;;;/h3-4H,1-2H3;;;/q;+2;2*-1
InChIKeyGHDCXZGZHPBKJC-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.39
Rot. Bonds4

About magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride

magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride (PubChem CID 173330701) has the molecular formula C8H10Cl3MgO3PS and a molecular weight of 347.87 g/mol. Its IUPAC name is magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride.

Molecular Properties

Compound Namemagnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
PubChem CID173330701
Molecular FormulaC8H10Cl3MgO3PS
Molecular Weight347.87 g/mol
Exact Mass345.90
IUPAC Namemagnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
SMILESCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H8Cl3O3PS.Mg.2H/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11;;;/h3-4H,1-2H3;;;/q;+2;2*-1
InChIKeyGHDCXZGZHPBKJC-UHFFFAOYSA-N
XLogP4.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.39
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

ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 17519
CID 87676034
CID 87676034
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 9477
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
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
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
CID 24841757
(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
CID 76970999
bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854
potassium (2,4,5-trichlorophenoxy)methanedithioic acid
CID 54609155
1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
CID 10594114
(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane;phenol
CID 23617603

Frequently Asked Questions

What is the IUPAC name of magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride?
The IUPAC name of magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride (CID 173330701) is magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride.
What is the SMILES notation for magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride?
The canonical SMILES for magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride is COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride?
The InChIKey is GHDCXZGZHPBKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3O3PS.Mg.2H/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11;;;/h3-4H,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride?
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride has a molecular weight of 347.87 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride is sourced from PubChem (CID 173330701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).