oxo(thiophen-2-yl)phosphanium;dihydrochloride

C4H6Cl2OPS+ — CID 173410277

IUPACoxo(thiophen-2-yl)phosphanium;dihydrochloride
SMILESCl.Cl.O=[PH+]c1cccs1
InChIInChI=1S/C4H3OPS.2ClH/c5-6-4-2-1-3-7-4;;/h1-3H;2*1H/p+1
InChIKeyLPTQMTHEESJOBO-UHFFFAOYSA-O
MW204.04 g/mol
LogP2.24
Rot. Bonds1

About oxo(thiophen-2-yl)phosphanium;dihydrochloride

oxo(thiophen-2-yl)phosphanium;dihydrochloride (PubChem CID 173410277) has the molecular formula C4H6Cl2OPS+ and a molecular weight of 204.04 g/mol. Its IUPAC name is oxo(thiophen-2-yl)phosphanium;dihydrochloride.

Molecular Properties

Compound Nameoxo(thiophen-2-yl)phosphanium;dihydrochloride
PubChem CID173410277
Molecular FormulaC4H6Cl2OPS+
Molecular Weight204.04 g/mol
Exact Mass202.92
IUPAC Nameoxo(thiophen-2-yl)phosphanium;dihydrochloride
SMILESCl.Cl.O=[PH+]c1cccs1
InChIInChI=1S/C4H3OPS.2ClH/c5-6-4-2-1-3-7-4;;/h1-3H;2*1H/p+1
InChIKeyLPTQMTHEESJOBO-UHFFFAOYSA-O
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(thiophen-2-yl)phosphanium;dihydrochloride?
The IUPAC name of oxo(thiophen-2-yl)phosphanium;dihydrochloride (CID 173410277) is oxo(thiophen-2-yl)phosphanium;dihydrochloride.
What is the SMILES notation for oxo(thiophen-2-yl)phosphanium;dihydrochloride?
The canonical SMILES for oxo(thiophen-2-yl)phosphanium;dihydrochloride is Cl.Cl.O=[PH+]c1cccs1.
What is the InChIKey of oxo(thiophen-2-yl)phosphanium;dihydrochloride?
The InChIKey is LPTQMTHEESJOBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H3OPS.2ClH/c5-6-4-2-1-3-7-4;;/h1-3H;2*1H/p+1.
What are the key properties of oxo(thiophen-2-yl)phosphanium;dihydrochloride?
oxo(thiophen-2-yl)phosphanium;dihydrochloride has a molecular weight of 204.04 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(thiophen-2-yl)phosphanium;dihydrochloride is sourced from PubChem (CID 173410277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).