(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane

C11H11N2O3PS2 — CID 88817605

IUPAC(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)Oc1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C11H11N2O3PS2/c14-17(15,18)16-10-6-7-11(13-12-10)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,18)
InChIKeyVFXOUEUJRVKNOE-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.36
Rot. Bonds5

About (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane

(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 88817605) has the molecular formula C11H11N2O3PS2 and a molecular weight of 314.33 g/mol. Its IUPAC name is (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID88817605
Molecular FormulaC11H11N2O3PS2
Molecular Weight314.33 g/mol
Exact Mass313.99
IUPAC Name(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)Oc1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C11H11N2O3PS2/c14-17(15,18)16-10-6-7-11(13-12-10)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,18)
InChIKeyVFXOUEUJRVKNOE-UHFFFAOYSA-N
XLogP2.36
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane (CID 88817605) is (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane is OP(O)(=S)Oc1ccc(SCc2ccccc2)nn1.
What is the InChIKey of (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is VFXOUEUJRVKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O3PS2/c14-17(15,18)16-10-6-7-11(13-12-10)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,18).
What are the key properties of (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 314.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88817605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).