2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one

C7H11N2O3PS2 — CID 3039859

IUPAC2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
SMILESCOP(=S)(OC)SCn1ncccc1=O
InChIInChI=1S/C7H11N2O3PS2/c1-11-13(14,12-2)15-6-9-7(10)4-3-5-8-9/h3-5H,6H2,1-2H3
InChIKeyRLGBRCXTWVJQHJ-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.45
Rot. Bonds5

About 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one

2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one (PubChem CID 3039859) has the molecular formula C7H11N2O3PS2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
PubChem CID3039859
Molecular FormulaC7H11N2O3PS2
Molecular Weight266.28 g/mol
Exact Mass265.99
IUPAC Name2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
SMILESCOP(=S)(OC)SCn1ncccc1=O
InChIInChI=1S/C7H11N2O3PS2/c1-11-13(14,12-2)15-6-9-7(10)4-3-5-8-9/h3-5H,6H2,1-2H3
InChIKeyRLGBRCXTWVJQHJ-UHFFFAOYSA-N
XLogP1.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one?
The IUPAC name of 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one (CID 3039859) is 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one is COP(=S)(OC)SCn1ncccc1=O.
What is the InChIKey of 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one?
The InChIKey is RLGBRCXTWVJQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O3PS2/c1-11-13(14,12-2)15-6-9-7(10)4-3-5-8-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one?
2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one has a molecular weight of 266.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one is sourced from PubChem (CID 3039859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).