2-(2-sulfanylethylphosphanyl)ethanethiol

C4H11PS2 — CID 12909454

IUPAC2-(2-sulfanylethylphosphanyl)ethanethiol
SMILESSCCPCCS
InChIInChI=1S/C4H11PS2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKeyMFGZBIFQAIPOFE-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-sulfanylethylphosphanyl)ethanethiol

2-(2-sulfanylethylphosphanyl)ethanethiol (PubChem CID 12909454) has the molecular formula C4H11PS2 and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-(2-sulfanylethylphosphanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-sulfanylethylphosphanyl)ethanethiol
PubChem CID12909454
Molecular FormulaC4H11PS2
Molecular Weight154.24 g/mol
Exact Mass154.00
IUPAC Name2-(2-sulfanylethylphosphanyl)ethanethiol
SMILESSCCPCCS
InChIInChI=1S/C4H11PS2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKeyMFGZBIFQAIPOFE-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(2-sulfanylethylphosphanyl)ethanethiol?
The IUPAC name of 2-(2-sulfanylethylphosphanyl)ethanethiol (CID 12909454) is 2-(2-sulfanylethylphosphanyl)ethanethiol.
What is the SMILES notation for 2-(2-sulfanylethylphosphanyl)ethanethiol?
The canonical SMILES for 2-(2-sulfanylethylphosphanyl)ethanethiol is SCCPCCS.
What is the InChIKey of 2-(2-sulfanylethylphosphanyl)ethanethiol?
The InChIKey is MFGZBIFQAIPOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS2/c6-3-1-5-2-4-7/h5-7H,1-4H2.
What are the key properties of 2-(2-sulfanylethylphosphanyl)ethanethiol?
2-(2-sulfanylethylphosphanyl)ethanethiol has a molecular weight of 154.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethylphosphanyl)ethanethiol is sourced from PubChem (CID 12909454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).