(tritiodisulfanyl)ethane

C2H6S2 — CID 58651910

IUPAC(tritiodisulfanyl)ethane
SMILES[3H]SSCC
InChIInChI=1S/C2H6S2/c1-2-4-3/h3H,2H2,1H3/i/hT
InChIKeyYENZEWKLSIXGBO-MNYXATJNSA-N
MW96.21 g/mol
LogP1.58
Rot. Bonds2

About (tritiodisulfanyl)ethane

(tritiodisulfanyl)ethane (PubChem CID 58651910) has the molecular formula C2H6S2 and a molecular weight of 96.21 g/mol. Its IUPAC name is (tritiodisulfanyl)ethane.

Molecular Properties

Compound Name(tritiodisulfanyl)ethane
PubChem CID58651910
Molecular FormulaC2H6S2
Molecular Weight96.21 g/mol
Exact Mass96.00
IUPAC Name(tritiodisulfanyl)ethane
SMILES[3H]SSCC
InChIInChI=1S/C2H6S2/c1-2-4-3/h3H,2H2,1H3/i/hT
InChIKeyYENZEWKLSIXGBO-MNYXATJNSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (tritiodisulfanyl)ethane?
The IUPAC name of (tritiodisulfanyl)ethane (CID 58651910) is (tritiodisulfanyl)ethane.
What is the SMILES notation for (tritiodisulfanyl)ethane?
The canonical SMILES for (tritiodisulfanyl)ethane is [3H]SSCC.
What is the InChIKey of (tritiodisulfanyl)ethane?
The InChIKey is YENZEWKLSIXGBO-MNYXATJNSA-N. The full InChI is InChI=1S/C2H6S2/c1-2-4-3/h3H,2H2,1H3/i/hT.
What are the key properties of (tritiodisulfanyl)ethane?
(tritiodisulfanyl)ethane has a molecular weight of 96.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tritiodisulfanyl)ethane is sourced from PubChem (CID 58651910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).