sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane

C24H16O2P2S4 — CID 88764491

IUPACsulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane
SMILESS=S(P1(=S)Oc2ccccc2-c2ccccc21)P1(=S)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C24H16O2P2S4/c29-27(23-15-7-3-11-19(23)17-9-1-5-13-21(17)25-27)32(31)28(30)24-16-8-4-12-20(24)18-10-2-6-14-22(18)26-28/h1-16H
InChIKeyHQHQHIGKUOGKKM-UHFFFAOYSA-N
MW526.61 g/mol
LogP6.46
Rot. Bonds2

About sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane

sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane (PubChem CID 88764491) has the molecular formula C24H16O2P2S4 and a molecular weight of 526.61 g/mol. Its IUPAC name is sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane.

Molecular Properties

Compound Namesulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane
PubChem CID88764491
Molecular FormulaC24H16O2P2S4
Molecular Weight526.61 g/mol
Exact Mass525.95
IUPAC Namesulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane
SMILESS=S(P1(=S)Oc2ccccc2-c2ccccc21)P1(=S)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C24H16O2P2S4/c29-27(23-15-7-3-11-19(23)17-9-1-5-13-21(17)25-27)32(31)28(30)24-16-8-4-12-20(24)18-10-2-6-14-22(18)26-28/h1-16H
InChIKeyHQHQHIGKUOGKKM-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 56.46
H-Bond Donors ≤ 50
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 sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane?
The IUPAC name of sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane (CID 88764491) is sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane.
What is the SMILES notation for sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane?
The canonical SMILES for sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane is S=S(P1(=S)Oc2ccccc2-c2ccccc21)P1(=S)Oc2ccccc2-c2ccccc21.
What is the InChIKey of sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane?
The InChIKey is HQHQHIGKUOGKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2P2S4/c29-27(23-15-7-3-11-19(23)17-9-1-5-13-21(17)25-27)32(31)28(30)24-16-8-4-12-20(24)18-10-2-6-14-22(18)26-28/h1-16H.
What are the key properties of sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane?
sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane has a molecular weight of 526.61 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane is sourced from PubChem (CID 88764491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).