dimethoxyphosphinothioyl thiohypobromite

C2H6BrO2PS2 — CID 12886142

IUPACdimethoxyphosphinothioyl thiohypobromite
SMILESCOP(=S)(OC)SBr
InChIInChI=1S/C2H6BrO2PS2/c1-4-6(7,5-2)8-3/h1-2H3
InChIKeyFQHGRDUOXXQXNJ-UHFFFAOYSA-N
MW237.08 g/mol
LogP2.55
Rot. Bonds3

About dimethoxyphosphinothioyl thiohypobromite

dimethoxyphosphinothioyl thiohypobromite (PubChem CID 12886142) has the molecular formula C2H6BrO2PS2 and a molecular weight of 237.08 g/mol. Its IUPAC name is dimethoxyphosphinothioyl thiohypobromite.

Molecular Properties

Compound Namedimethoxyphosphinothioyl thiohypobromite
PubChem CID12886142
Molecular FormulaC2H6BrO2PS2
Molecular Weight237.08 g/mol
Exact Mass235.87
IUPAC Namedimethoxyphosphinothioyl thiohypobromite
SMILESCOP(=S)(OC)SBr
InChIInChI=1S/C2H6BrO2PS2/c1-4-6(7,5-2)8-3/h1-2H3
InChIKeyFQHGRDUOXXQXNJ-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 52.55
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 thiohypobromite?
The IUPAC name of dimethoxyphosphinothioyl thiohypobromite (CID 12886142) is dimethoxyphosphinothioyl thiohypobromite.
What is the SMILES notation for dimethoxyphosphinothioyl thiohypobromite?
The canonical SMILES for dimethoxyphosphinothioyl thiohypobromite is COP(=S)(OC)SBr.
What is the InChIKey of dimethoxyphosphinothioyl thiohypobromite?
The InChIKey is FQHGRDUOXXQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BrO2PS2/c1-4-6(7,5-2)8-3/h1-2H3.
What are the key properties of dimethoxyphosphinothioyl thiohypobromite?
dimethoxyphosphinothioyl thiohypobromite has a molecular weight of 237.08 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphinothioyl thiohypobromite is sourced from PubChem (CID 12886142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).