hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane

C4H8Cl3O4PS — CID 58602247

IUPAChydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane
SMILESCOC(OP(O)(=S)OC)C(Cl)(Cl)Cl
InChIInChI=1S/C4H8Cl3O4PS/c1-9-3(4(5,6)7)11-12(8,13)10-2/h3H,1-2H3,(H,8,13)
InChIKeyUUISGDZLRQIKJY-UHFFFAOYSA-N
MW289.50 g/mol
LogP2.21
Rot. Bonds4

About hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane

hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane (PubChem CID 58602247) has the molecular formula C4H8Cl3O4PS and a molecular weight of 289.50 g/mol. Its IUPAC name is hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane
PubChem CID58602247
Molecular FormulaC4H8Cl3O4PS
Molecular Weight289.50 g/mol
Exact Mass287.89
IUPAC Namehydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane
SMILESCOC(OP(O)(=S)OC)C(Cl)(Cl)Cl
InChIInChI=1S/C4H8Cl3O4PS/c1-9-3(4(5,6)7)11-12(8,13)10-2/h3H,1-2H3,(H,8,13)
InChIKeyUUISGDZLRQIKJY-UHFFFAOYSA-N
XLogP2.21
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888
azane;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane
CID 14041230
(1R)-2,2,2-trichloro-1-dimethoxyphosphinothioylethanol
CID 174992054
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
CID 88555900
CID 88555900
[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium
CID 155107432
hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
CID 58974551
1-dihydroxyphosphinothioyloxy-2,2-dimethylpropan-1-ol
CID 141146063
N-[hydroxy(methoxy)phosphinothioyl]methanamine
CID 4155878
12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
CID 123445050
1-[hydroxy(methoxy)phosphinothioyl]oxy-3-[methoxy(sulfido)phosphoryl]oxypropan-2-ol
CID 72556314
3-dimethoxyphosphinothioyl-2,2-diethyl-4-oxo-4-sulfanylbutanoic acid
CID 121267610

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane (CID 58602247) is hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane is COC(OP(O)(=S)OC)C(Cl)(Cl)Cl.
What is the InChIKey of hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane?
The InChIKey is UUISGDZLRQIKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl3O4PS/c1-9-3(4(5,6)7)11-12(8,13)10-2/h3H,1-2H3,(H,8,13).
What are the key properties of hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane?
hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane has a molecular weight of 289.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane is sourced from PubChem (CID 58602247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).