2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol

C12H10O2P2S4+2 — CID 175025550

IUPAC2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2ccccc2O)cc1.S=[P+]1S[P+](=S)S1
InChIInChI=1S/C12H10O2.P2S4/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;3-1-5-2(4)6-1/h1-8,13-14H;/q;+2
InChIKeyLNDPRKZNENZITP-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.78
Rot. Bonds1

About 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol

2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol (PubChem CID 175025550) has the molecular formula C12H10O2P2S4+2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol
PubChem CID175025550
Molecular FormulaC12H10O2P2S4+2
Molecular Weight376.43 g/mol
Exact Mass375.90
IUPAC Name2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2ccccc2O)cc1.S=[P+]1S[P+](=S)S1
InChIInChI=1S/C12H10O2.P2S4/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;3-1-5-2(4)6-1/h1-8,13-14H;/q;+2
InChIKeyLNDPRKZNENZITP-UHFFFAOYSA-N
XLogP5.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.78
H-Bond Donors ≤ 52
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 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol?
The IUPAC name of 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol (CID 175025550) is 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol is Oc1ccc(-c2ccccc2O)cc1.S=[P+]1S[P+](=S)S1.
What is the InChIKey of 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol?
The InChIKey is LNDPRKZNENZITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.P2S4/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;3-1-5-2(4)6-1/h1-8,13-14H;/q;+2.
What are the key properties of 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol?
2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol has a molecular weight of 376.43 g/mol, XLogP of 5.78, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(sulfanylidene)-1,3,2,4-dithiadiphosphetane-2,4-diium;2-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 175025550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).