sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane

C14H14NaO2PS2 — CID 23689135

IUPACsodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
SMILESCc1ccccc1OP(=S)([S-])Oc1ccccc1C.[Na+]
InChIInChI=1S/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyUVBFFTCXSYRBPU-UHFFFAOYSA-M
MW332.36 g/mol
LogP1.54
Rot. Bonds4

About sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane

sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 23689135) has the molecular formula C14H14NaO2PS2 and a molecular weight of 332.36 g/mol. Its IUPAC name is sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namesodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
PubChem CID23689135
Molecular FormulaC14H14NaO2PS2
Molecular Weight332.36 g/mol
Exact Mass332.01
IUPAC Namesodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
SMILESCc1ccccc1OP(=S)([S-])Oc1ccccc1C.[Na+]
InChIInChI=1S/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyUVBFFTCXSYRBPU-UHFFFAOYSA-M
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane (CID 23689135) is sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane is Cc1ccccc1OP(=S)([S-])Oc1ccccc1C.[Na+].
What is the InChIKey of sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is UVBFFTCXSYRBPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1.
What are the key properties of sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane?
sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 332.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 23689135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).