tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane

C4H8N2Na4O4P2S2 — CID 13005261

IUPACtetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane
SMILES[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=S)N1CCN(P([O-])([O-])=S)CC1
InChIInChI=1S/C4H12N2O4P2S2.4Na/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14;;;;/h1-4H2,(H2,7,8,13)(H2,9,10,14);;;;/q;4*+1/p-4
InChIKeyBWARUVKBENNEPF-UHFFFAOYSA-J
MW366.16 g/mol
LogP-15.49
Rot. Bonds2

About tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane

tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane (PubChem CID 13005261) has the molecular formula C4H8N2Na4O4P2S2 and a molecular weight of 366.16 g/mol. Its IUPAC name is tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane
PubChem CID13005261
Molecular FormulaC4H8N2Na4O4P2S2
Molecular Weight366.16 g/mol
Exact Mass365.90
IUPAC Nametetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane
SMILES[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=S)N1CCN(P([O-])([O-])=S)CC1
InChIInChI=1S/C4H12N2O4P2S2.4Na/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14;;;;/h1-4H2,(H2,7,8,13)(H2,9,10,14);;;;/q;4*+1/p-4
InChIKeyBWARUVKBENNEPF-UHFFFAOYSA-J
XLogP-15.49
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 5-15.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane?
The IUPAC name of tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane (CID 13005261) is tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane?
The canonical SMILES for tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane is [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=S)N1CCN(P([O-])([O-])=S)CC1.
What is the InChIKey of tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane?
The InChIKey is BWARUVKBENNEPF-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H12N2O4P2S2.4Na/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14;;;;/h1-4H2,(H2,7,8,13)(H2,9,10,14);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane?
tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane has a molecular weight of 366.16 g/mol, XLogP of -15.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;(4-dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13005261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).