[chlorooxy(ethoxy)phosphinothioyl] hypochlorite

C2H5Cl2O3PS — CID 20976777

IUPAC[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
SMILESCCOP(=S)(OCl)OCl
InChIInChI=1S/C2H5Cl2O3PS/c1-2-5-8(9,6-3)7-4/h2H2,1H3
InChIKeyKONIXSMFARLITM-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.59
Rot. Bonds4

About [chlorooxy(ethoxy)phosphinothioyl] hypochlorite

[chlorooxy(ethoxy)phosphinothioyl] hypochlorite (PubChem CID 20976777) has the molecular formula C2H5Cl2O3PS and a molecular weight of 211.01 g/mol. Its IUPAC name is [chlorooxy(ethoxy)phosphinothioyl] hypochlorite.

Molecular Properties

Compound Name[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
PubChem CID20976777
Molecular FormulaC2H5Cl2O3PS
Molecular Weight211.01 g/mol
Exact Mass209.91
IUPAC Name[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
SMILESCCOP(=S)(OCl)OCl
InChIInChI=1S/C2H5Cl2O3PS/c1-2-5-8(9,6-3)7-4/h2H2,1H3
InChIKeyKONIXSMFARLITM-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;methoxymethane
CID 87974989
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
CID 87872569
diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
CID 164728460
acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 88652694
CID 156593652
CID 156593652
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
[chlorooxy(ethyl)phosphinothioyl] hypochlorite
CID 57051010
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290

Frequently Asked Questions

What is the IUPAC name of [chlorooxy(ethoxy)phosphinothioyl] hypochlorite?
The IUPAC name of [chlorooxy(ethoxy)phosphinothioyl] hypochlorite (CID 20976777) is [chlorooxy(ethoxy)phosphinothioyl] hypochlorite.
What is the SMILES notation for [chlorooxy(ethoxy)phosphinothioyl] hypochlorite?
The canonical SMILES for [chlorooxy(ethoxy)phosphinothioyl] hypochlorite is CCOP(=S)(OCl)OCl.
What is the InChIKey of [chlorooxy(ethoxy)phosphinothioyl] hypochlorite?
The InChIKey is KONIXSMFARLITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl2O3PS/c1-2-5-8(9,6-3)7-4/h2H2,1H3.
What are the key properties of [chlorooxy(ethoxy)phosphinothioyl] hypochlorite?
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite has a molecular weight of 211.01 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chlorooxy(ethoxy)phosphinothioyl] hypochlorite is sourced from PubChem (CID 20976777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).