phosphenous acid;trimethylsulfanium

C3H10O2PS+ — CID 173417936

IUPACphosphenous acid;trimethylsulfanium
SMILESC[S+](C)C.O=PO
InChIInChI=1S/C3H9S.HO2P/c1-4(2)3;1-3-2/h1-3H3;(H,1,2)/q+1;
InChIKeyBQVWZGNTWZVUEF-UHFFFAOYSA-N
MW141.15 g/mol
LogP0.68
Rot. Bonds

About phosphenous acid;trimethylsulfanium

phosphenous acid;trimethylsulfanium (PubChem CID 173417936) has the molecular formula C3H10O2PS+ and a molecular weight of 141.15 g/mol. Its IUPAC name is phosphenous acid;trimethylsulfanium.

Molecular Properties

Compound Namephosphenous acid;trimethylsulfanium
PubChem CID173417936
Molecular FormulaC3H10O2PS+
Molecular Weight141.15 g/mol
Exact Mass141.01
IUPAC Namephosphenous acid;trimethylsulfanium
SMILESC[S+](C)C.O=PO
InChIInChI=1S/C3H9S.HO2P/c1-4(2)3;1-3-2/h1-3H3;(H,1,2)/q+1;
InChIKeyBQVWZGNTWZVUEF-UHFFFAOYSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 phosphenous acid;trimethylsulfanium?
The IUPAC name of phosphenous acid;trimethylsulfanium (CID 173417936) is phosphenous acid;trimethylsulfanium.
What is the SMILES notation for phosphenous acid;trimethylsulfanium?
The canonical SMILES for phosphenous acid;trimethylsulfanium is C[S+](C)C.O=PO.
What is the InChIKey of phosphenous acid;trimethylsulfanium?
The InChIKey is BQVWZGNTWZVUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9S.HO2P/c1-4(2)3;1-3-2/h1-3H3;(H,1,2)/q+1;.
What are the key properties of phosphenous acid;trimethylsulfanium?
phosphenous acid;trimethylsulfanium has a molecular weight of 141.15 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenous acid;trimethylsulfanium is sourced from PubChem (CID 173417936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).