5-ethyltetrathiane

C4H8S4 — CID 88615059

IUPAC5-ethyltetrathiane
SMILESCCC1CSSSS1
InChIInChI=1S/C4H8S4/c1-2-4-3-5-7-8-6-4/h4H,2-3H2,1H3
InChIKeyNWTLAFNJPLOJEA-UHFFFAOYSA-N
MW184.38 g/mol
LogP3.46
Rot. Bonds1

About 5-ethyltetrathiane

5-ethyltetrathiane (PubChem CID 88615059) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 5-ethyltetrathiane.

Molecular Properties

Compound Name5-ethyltetrathiane
PubChem CID88615059
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name5-ethyltetrathiane
SMILESCCC1CSSSS1
InChIInChI=1S/C4H8S4/c1-2-4-3-5-7-8-6-4/h4H,2-3H2,1H3
InChIKeyNWTLAFNJPLOJEA-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyltetrathiane?
The IUPAC name of 5-ethyltetrathiane (CID 88615059) is 5-ethyltetrathiane.
What is the SMILES notation for 5-ethyltetrathiane?
The canonical SMILES for 5-ethyltetrathiane is CCC1CSSSS1.
What is the InChIKey of 5-ethyltetrathiane?
The InChIKey is NWTLAFNJPLOJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c1-2-4-3-5-7-8-6-4/h4H,2-3H2,1H3.
What are the key properties of 5-ethyltetrathiane?
5-ethyltetrathiane has a molecular weight of 184.38 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyltetrathiane is sourced from PubChem (CID 88615059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).