3,5-dipropyl-1,2,4-trithiolane

C8H16S3 — CID 20567283

IUPAC3,5-dipropyl-1,2,4-trithiolane
SMILESCCCC1SSC(CCC)S1
InChIInChI=1S/C8H16S3/c1-3-5-7-9-8(6-4-2)11-10-7/h7-8H,3-6H2,1-2H3
InChIKeyRJVZZGYMVBJRLX-UHFFFAOYSA-N
MW208.42 g/mol
LogP4.37
Rot. Bonds4

About 3,5-dipropyl-1,2,4-trithiolane

3,5-dipropyl-1,2,4-trithiolane (PubChem CID 20567283) has the molecular formula C8H16S3 and a molecular weight of 208.42 g/mol. Its IUPAC name is 3,5-dipropyl-1,2,4-trithiolane.

Molecular Properties

Compound Name3,5-dipropyl-1,2,4-trithiolane
PubChem CID20567283
Molecular FormulaC8H16S3
Molecular Weight208.42 g/mol
Exact Mass208.04
IUPAC Name3,5-dipropyl-1,2,4-trithiolane
SMILESCCCC1SSC(CCC)S1
InChIInChI=1S/C8H16S3/c1-3-5-7-9-8(6-4-2)11-10-7/h7-8H,3-6H2,1-2H3
InChIKeyRJVZZGYMVBJRLX-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 54.37
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 3,5-dipropyl-1,2,4-trithiolane?
The IUPAC name of 3,5-dipropyl-1,2,4-trithiolane (CID 20567283) is 3,5-dipropyl-1,2,4-trithiolane.
What is the SMILES notation for 3,5-dipropyl-1,2,4-trithiolane?
The canonical SMILES for 3,5-dipropyl-1,2,4-trithiolane is CCCC1SSC(CCC)S1.
What is the InChIKey of 3,5-dipropyl-1,2,4-trithiolane?
The InChIKey is RJVZZGYMVBJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S3/c1-3-5-7-9-8(6-4-2)11-10-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,5-dipropyl-1,2,4-trithiolane?
3,5-dipropyl-1,2,4-trithiolane has a molecular weight of 208.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipropyl-1,2,4-trithiolane is sourced from PubChem (CID 20567283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).