oxo-bis(1,3-thiazol-2-yloxy)phosphanium

C6H4N2O3PS2+ — CID 67372593

IUPACoxo-bis(1,3-thiazol-2-yloxy)phosphanium
SMILESO=[P+](Oc1nccs1)Oc1nccs1
InChIInChI=1S/C6H4N2O3PS2/c9-12(10-5-7-1-3-13-5)11-6-8-2-4-14-6/h1-4H/q+1
InChIKeyPWEQMOIQHXYMKU-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.71
Rot. Bonds4

About oxo-bis(1,3-thiazol-2-yloxy)phosphanium

oxo-bis(1,3-thiazol-2-yloxy)phosphanium (PubChem CID 67372593) has the molecular formula C6H4N2O3PS2+ and a molecular weight of 247.22 g/mol. Its IUPAC name is oxo-bis(1,3-thiazol-2-yloxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(1,3-thiazol-2-yloxy)phosphanium
PubChem CID67372593
Molecular FormulaC6H4N2O3PS2+
Molecular Weight247.22 g/mol
Exact Mass246.94
IUPAC Nameoxo-bis(1,3-thiazol-2-yloxy)phosphanium
SMILESO=[P+](Oc1nccs1)Oc1nccs1
InChIInChI=1S/C6H4N2O3PS2/c9-12(10-5-7-1-3-13-5)11-6-8-2-4-14-6/h1-4H/q+1
InChIKeyPWEQMOIQHXYMKU-UHFFFAOYSA-N
XLogP2.71
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(1,3-thiazol-2-yloxy)phosphanium?
The IUPAC name of oxo-bis(1,3-thiazol-2-yloxy)phosphanium (CID 67372593) is oxo-bis(1,3-thiazol-2-yloxy)phosphanium.
What is the SMILES notation for oxo-bis(1,3-thiazol-2-yloxy)phosphanium?
The canonical SMILES for oxo-bis(1,3-thiazol-2-yloxy)phosphanium is O=[P+](Oc1nccs1)Oc1nccs1.
What is the InChIKey of oxo-bis(1,3-thiazol-2-yloxy)phosphanium?
The InChIKey is PWEQMOIQHXYMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3PS2/c9-12(10-5-7-1-3-13-5)11-6-8-2-4-14-6/h1-4H/q+1.
What are the key properties of oxo-bis(1,3-thiazol-2-yloxy)phosphanium?
oxo-bis(1,3-thiazol-2-yloxy)phosphanium has a molecular weight of 247.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(1,3-thiazol-2-yloxy)phosphanium is sourced from PubChem (CID 67372593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).