dimethoxyphosphinothioyl thiohypochlorite

C2H6ClO2PS2 — CID 14250492

IUPACdimethoxyphosphinothioyl thiohypochlorite
SMILESCOP(=S)(OC)SCl
InChIInChI=1S/C2H6ClO2PS2/c1-4-6(7,5-2)8-3/h1-2H3
InChIKeyKUMYHBUJLSMDFX-UHFFFAOYSA-N
MW192.63 g/mol
LogP2.39
Rot. Bonds3

About dimethoxyphosphinothioyl thiohypochlorite

dimethoxyphosphinothioyl thiohypochlorite (PubChem CID 14250492) has the molecular formula C2H6ClO2PS2 and a molecular weight of 192.63 g/mol. Its IUPAC name is dimethoxyphosphinothioyl thiohypochlorite.

Molecular Properties

Compound Namedimethoxyphosphinothioyl thiohypochlorite
PubChem CID14250492
Molecular FormulaC2H6ClO2PS2
Molecular Weight192.63 g/mol
Exact Mass191.92
IUPAC Namedimethoxyphosphinothioyl thiohypochlorite
SMILESCOP(=S)(OC)SCl
InChIInChI=1S/C2H6ClO2PS2/c1-4-6(7,5-2)8-3/h1-2H3
InChIKeyKUMYHBUJLSMDFX-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphinothioyl thiohypochlorite?
The IUPAC name of dimethoxyphosphinothioyl thiohypochlorite (CID 14250492) is dimethoxyphosphinothioyl thiohypochlorite.
What is the SMILES notation for dimethoxyphosphinothioyl thiohypochlorite?
The canonical SMILES for dimethoxyphosphinothioyl thiohypochlorite is COP(=S)(OC)SCl.
What is the InChIKey of dimethoxyphosphinothioyl thiohypochlorite?
The InChIKey is KUMYHBUJLSMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO2PS2/c1-4-6(7,5-2)8-3/h1-2H3.
What are the key properties of dimethoxyphosphinothioyl thiohypochlorite?
dimethoxyphosphinothioyl thiohypochlorite has a molecular weight of 192.63 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphinothioyl thiohypochlorite is sourced from PubChem (CID 14250492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).