trimethyl(2-sulfanylethyl)phosphanium

C5H14PS+ — CID 88852672

IUPACtrimethyl(2-sulfanylethyl)phosphanium
SMILESC[P+](C)(C)CCS
InChIInChI=1S/C5H13PS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKeyHHMZDIFXCWPWFO-UHFFFAOYSA-O
MW137.21 g/mol
LogP1.82
Rot. Bonds2

About trimethyl(2-sulfanylethyl)phosphanium

trimethyl(2-sulfanylethyl)phosphanium (PubChem CID 88852672) has the molecular formula C5H14PS+ and a molecular weight of 137.21 g/mol. Its IUPAC name is trimethyl(2-sulfanylethyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(2-sulfanylethyl)phosphanium
PubChem CID88852672
Molecular FormulaC5H14PS+
Molecular Weight137.21 g/mol
Exact Mass137.05
IUPAC Nametrimethyl(2-sulfanylethyl)phosphanium
SMILESC[P+](C)(C)CCS
InChIInChI=1S/C5H13PS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKeyHHMZDIFXCWPWFO-UHFFFAOYSA-O
XLogP1.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-sulfanylethyl)phosphanium?
The IUPAC name of trimethyl(2-sulfanylethyl)phosphanium (CID 88852672) is trimethyl(2-sulfanylethyl)phosphanium.
What is the SMILES notation for trimethyl(2-sulfanylethyl)phosphanium?
The canonical SMILES for trimethyl(2-sulfanylethyl)phosphanium is C[P+](C)(C)CCS.
What is the InChIKey of trimethyl(2-sulfanylethyl)phosphanium?
The InChIKey is HHMZDIFXCWPWFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13PS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1.
What are the key properties of trimethyl(2-sulfanylethyl)phosphanium?
trimethyl(2-sulfanylethyl)phosphanium has a molecular weight of 137.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-sulfanylethyl)phosphanium is sourced from PubChem (CID 88852672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).