2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate

C10H14F6NOPS — CID 11099912

IUPAC2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate
SMILESCOc1ccc([S+]2CCCC2)cn1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H14NOS.F6P/c1-12-10-5-4-9(8-11-10)13-6-2-3-7-13;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1
InChIKeyZCXNKANTAOJOSA-UHFFFAOYSA-N
MW341.26 g/mol
LogP5.24
Rot. Bonds2

About 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate

2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate (PubChem CID 11099912) has the molecular formula C10H14F6NOPS and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate.

Molecular Properties

Compound Name2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate
PubChem CID11099912
Molecular FormulaC10H14F6NOPS
Molecular Weight341.26 g/mol
Exact Mass341.04
IUPAC Name2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate
SMILESCOc1ccc([S+]2CCCC2)cn1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H14NOS.F6P/c1-12-10-5-4-9(8-11-10)13-6-2-3-7-13;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1
InChIKeyZCXNKANTAOJOSA-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.26
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate?
The IUPAC name of 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate (CID 11099912) is 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate.
What is the SMILES notation for 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate?
The canonical SMILES for 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate is COc1ccc([S+]2CCCC2)cn1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate?
The InChIKey is ZCXNKANTAOJOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NOS.F6P/c1-12-10-5-4-9(8-11-10)13-6-2-3-7-13;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1.
What are the key properties of 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate?
2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate has a molecular weight of 341.26 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(thiolan-1-ium-1-yl)pyridine hexafluorophosphate is sourced from PubChem (CID 11099912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).