(3R,5S)-3,5-diethyl-1,2,4-trithiolane

C6H12S3 — CID 6431294

IUPAC(3R,5S)-3,5-diethyl-1,2,4-trithiolane
SMILESCC[C@@H]1SS[C@H](CC)S1
InChIInChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyWQXXXHMEBYGSBG-OLQVQODUSA-N
MW180.36 g/mol
LogP3.59
Rot. Bonds2

About (3R,5S)-3,5-diethyl-1,2,4-trithiolane

(3R,5S)-3,5-diethyl-1,2,4-trithiolane (PubChem CID 6431294) has the molecular formula C6H12S3 and a molecular weight of 180.36 g/mol. Its IUPAC name is (3R,5S)-3,5-diethyl-1,2,4-trithiolane.

Molecular Properties

Compound Name(3R,5S)-3,5-diethyl-1,2,4-trithiolane
PubChem CID6431294
Molecular FormulaC6H12S3
Molecular Weight180.36 g/mol
Exact Mass180.01
IUPAC Name(3R,5S)-3,5-diethyl-1,2,4-trithiolane
SMILESCC[C@@H]1SS[C@H](CC)S1
InChIInChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyWQXXXHMEBYGSBG-OLQVQODUSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-diethyl-1,2,4-trithiolane?
The IUPAC name of (3R,5S)-3,5-diethyl-1,2,4-trithiolane (CID 6431294) is (3R,5S)-3,5-diethyl-1,2,4-trithiolane.
What is the SMILES notation for (3R,5S)-3,5-diethyl-1,2,4-trithiolane?
The canonical SMILES for (3R,5S)-3,5-diethyl-1,2,4-trithiolane is CC[C@@H]1SS[C@H](CC)S1.
What is the InChIKey of (3R,5S)-3,5-diethyl-1,2,4-trithiolane?
The InChIKey is WQXXXHMEBYGSBG-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (3R,5S)-3,5-diethyl-1,2,4-trithiolane?
(3R,5S)-3,5-diethyl-1,2,4-trithiolane has a molecular weight of 180.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-diethyl-1,2,4-trithiolane is sourced from PubChem (CID 6431294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).