2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol

C5H12S4 — CID 15218843

IUPAC2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol
SMILESSCCSC(CS)CS
InChIInChI=1S/C5H12S4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2
InChIKeyNQLQMVQEQFIDQB-UHFFFAOYSA-N
MW200.42 g/mol
LogP1.88
Rot. Bonds5

About 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol

2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol (PubChem CID 15218843) has the molecular formula C5H12S4 and a molecular weight of 200.42 g/mol. Its IUPAC name is 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol.

Molecular Properties

Compound Name2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol
PubChem CID15218843
Molecular FormulaC5H12S4
Molecular Weight200.42 g/mol
Exact Mass199.98
IUPAC Name2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol
SMILESSCCSC(CS)CS
InChIInChI=1S/C5H12S4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2
InChIKeyNQLQMVQEQFIDQB-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol?
The IUPAC name of 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol (CID 15218843) is 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol.
What is the SMILES notation for 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol?
The canonical SMILES for 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol is SCCSC(CS)CS.
What is the InChIKey of 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol?
The InChIKey is NQLQMVQEQFIDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2.
What are the key properties of 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol?
2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol has a molecular weight of 200.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol is sourced from PubChem (CID 15218843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).