cyclooct-5-ene-1,3-dithiol

C8H14S2 — CID 175095546

IUPACcyclooct-5-ene-1,3-dithiol
SMILESSC1CC=CCCC(S)C1
InChIInChI=1S/C8H14S2/c9-7-4-2-1-3-5-8(10)6-7/h1-2,7-10H,3-6H2
InChIKeyRFCCEZLUECMZQU-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.71
Rot. Bonds

About cyclooct-5-ene-1,3-dithiol

cyclooct-5-ene-1,3-dithiol (PubChem CID 175095546) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is cyclooct-5-ene-1,3-dithiol.

Molecular Properties

Compound Namecyclooct-5-ene-1,3-dithiol
PubChem CID175095546
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Namecyclooct-5-ene-1,3-dithiol
SMILESSC1CC=CCCC(S)C1
InChIInChI=1S/C8H14S2/c9-7-4-2-1-3-5-8(10)6-7/h1-2,7-10H,3-6H2
InChIKeyRFCCEZLUECMZQU-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooct-5-ene-1,3-dithiol?
The IUPAC name of cyclooct-5-ene-1,3-dithiol (CID 175095546) is cyclooct-5-ene-1,3-dithiol.
What is the SMILES notation for cyclooct-5-ene-1,3-dithiol?
The canonical SMILES for cyclooct-5-ene-1,3-dithiol is SC1CC=CCCC(S)C1.
What is the InChIKey of cyclooct-5-ene-1,3-dithiol?
The InChIKey is RFCCEZLUECMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c9-7-4-2-1-3-5-8(10)6-7/h1-2,7-10H,3-6H2.
What are the key properties of cyclooct-5-ene-1,3-dithiol?
cyclooct-5-ene-1,3-dithiol has a molecular weight of 174.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-5-ene-1,3-dithiol is sourced from PubChem (CID 175095546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).