1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol

C8H20P2S2 — CID 23414212

IUPAC1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol
SMILESCC(S)CPCCPCC(C)S
InChIInChI=1S/C8H20P2S2/c1-7(11)5-9-3-4-10-6-8(2)12/h7-12H,3-6H2,1-2H3
InChIKeyKUJATTWFPUTMGG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.98
Rot. Bonds7

About 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol

1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol (PubChem CID 23414212) has the molecular formula C8H20P2S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol.

Molecular Properties

Compound Name1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol
PubChem CID23414212
Molecular FormulaC8H20P2S2
Molecular Weight242.33 g/mol
Exact Mass242.05
IUPAC Name1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol
SMILESCC(S)CPCCPCC(C)S
InChIInChI=1S/C8H20P2S2/c1-7(11)5-9-3-4-10-6-8(2)12/h7-12H,3-6H2,1-2H3
InChIKeyKUJATTWFPUTMGG-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.98
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 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol?
The IUPAC name of 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol (CID 23414212) is 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol.
What is the SMILES notation for 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol?
The canonical SMILES for 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol is CC(S)CPCCPCC(C)S.
What is the InChIKey of 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol?
The InChIKey is KUJATTWFPUTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20P2S2/c1-7(11)5-9-3-4-10-6-8(2)12/h7-12H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol?
1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol has a molecular weight of 242.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol is sourced from PubChem (CID 23414212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).