phosphenic acid;trimethylsulfanium

C3H10O3PS+ — CID 172730337

IUPACphosphenic acid;trimethylsulfanium
SMILESC[S+](C)C.O=[P+]([O-])O
InChIInChI=1S/C3H9S.HO3P/c2*1-4(2)3/h1-3H3;(H,1,2,3)/q+1;
InChIKeyGCHQQRZVKPQRII-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.51
Rot. Bonds

About phosphenic acid;trimethylsulfanium

phosphenic acid;trimethylsulfanium (PubChem CID 172730337) has the molecular formula C3H10O3PS+ and a molecular weight of 157.15 g/mol. Its IUPAC name is phosphenic acid;trimethylsulfanium.

Molecular Properties

Compound Namephosphenic acid;trimethylsulfanium
PubChem CID172730337
Molecular FormulaC3H10O3PS+
Molecular Weight157.15 g/mol
Exact Mass157.01
IUPAC Namephosphenic acid;trimethylsulfanium
SMILESC[S+](C)C.O=[P+]([O-])O
InChIInChI=1S/C3H9S.HO3P/c2*1-4(2)3/h1-3H3;(H,1,2,3)/q+1;
InChIKeyGCHQQRZVKPQRII-UHFFFAOYSA-N
XLogP-0.51
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
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 phosphenic acid;trimethylsulfanium?
The IUPAC name of phosphenic acid;trimethylsulfanium (CID 172730337) is phosphenic acid;trimethylsulfanium.
What is the SMILES notation for phosphenic acid;trimethylsulfanium?
The canonical SMILES for phosphenic acid;trimethylsulfanium is C[S+](C)C.O=[P+]([O-])O.
What is the InChIKey of phosphenic acid;trimethylsulfanium?
The InChIKey is GCHQQRZVKPQRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9S.HO3P/c2*1-4(2)3/h1-3H3;(H,1,2,3)/q+1;.
What are the key properties of phosphenic acid;trimethylsulfanium?
phosphenic acid;trimethylsulfanium has a molecular weight of 157.15 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenic acid;trimethylsulfanium is sourced from PubChem (CID 172730337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).