S-diethoxyphosphinothioylthiohydroxylamine

C4H12NO2PS2 — CID 6372306

IUPACS-diethoxyphosphinothioylthiohydroxylamine
SMILESCCOP(=S)(OCC)SN
InChIInChI=1S/C4H12NO2PS2/c1-3-6-8(9,10-5)7-4-2/h3-5H2,1-2H3
InChIKeyUKVHBTXSAHEFSJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.89
Rot. Bonds5

About S-diethoxyphosphinothioylthiohydroxylamine

S-diethoxyphosphinothioylthiohydroxylamine (PubChem CID 6372306) has the molecular formula C4H12NO2PS2 and a molecular weight of 201.25 g/mol. Its IUPAC name is S-diethoxyphosphinothioylthiohydroxylamine.

Molecular Properties

Compound NameS-diethoxyphosphinothioylthiohydroxylamine
PubChem CID6372306
Molecular FormulaC4H12NO2PS2
Molecular Weight201.25 g/mol
Exact Mass201.00
IUPAC NameS-diethoxyphosphinothioylthiohydroxylamine
SMILESCCOP(=S)(OCC)SN
InChIInChI=1S/C4H12NO2PS2/c1-3-6-8(9,10-5)7-4-2/h3-5H2,1-2H3
InChIKeyUKVHBTXSAHEFSJ-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-diethoxyphosphinothioylthiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-diethoxyphosphinothioylthiohydroxylamine?
The IUPAC name of S-diethoxyphosphinothioylthiohydroxylamine (CID 6372306) is S-diethoxyphosphinothioylthiohydroxylamine.
What is the SMILES notation for S-diethoxyphosphinothioylthiohydroxylamine?
The canonical SMILES for S-diethoxyphosphinothioylthiohydroxylamine is CCOP(=S)(OCC)SN.
What is the InChIKey of S-diethoxyphosphinothioylthiohydroxylamine?
The InChIKey is UKVHBTXSAHEFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2PS2/c1-3-6-8(9,10-5)7-4-2/h3-5H2,1-2H3.
What are the key properties of S-diethoxyphosphinothioylthiohydroxylamine?
S-diethoxyphosphinothioylthiohydroxylamine has a molecular weight of 201.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-diethoxyphosphinothioylthiohydroxylamine is sourced from PubChem (CID 6372306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).