(4S)-cyclohexa-1,5-diene-1,4-dithiol

C6H8S2 — CID 88566638

IUPAC(4S)-cyclohexa-1,5-diene-1,4-dithiol
SMILESSC1=CC[C@H](S)C=C1
InChIInChI=1S/C6H8S2/c7-5-1-2-6(8)4-3-5/h1-3,6-8H,4H2/t6-/m1/s1
InChIKeyAJOLDBFGRKRSPF-ZCFIWIBFSA-N
MW144.26 g/mol
LogP2.06
Rot. Bonds

About (4S)-cyclohexa-1,5-diene-1,4-dithiol

(4S)-cyclohexa-1,5-diene-1,4-dithiol (PubChem CID 88566638) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (4S)-cyclohexa-1,5-diene-1,4-dithiol.

Molecular Properties

Compound Name(4S)-cyclohexa-1,5-diene-1,4-dithiol
PubChem CID88566638
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name(4S)-cyclohexa-1,5-diene-1,4-dithiol
SMILESSC1=CC[C@H](S)C=C1
InChIInChI=1S/C6H8S2/c7-5-1-2-6(8)4-3-5/h1-3,6-8H,4H2/t6-/m1/s1
InChIKeyAJOLDBFGRKRSPF-ZCFIWIBFSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-cyclohexa-1,5-diene-1,4-dithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-cyclohexa-1,5-diene-1,4-dithiol?
The IUPAC name of (4S)-cyclohexa-1,5-diene-1,4-dithiol (CID 88566638) is (4S)-cyclohexa-1,5-diene-1,4-dithiol.
What is the SMILES notation for (4S)-cyclohexa-1,5-diene-1,4-dithiol?
The canonical SMILES for (4S)-cyclohexa-1,5-diene-1,4-dithiol is SC1=CC[C@H](S)C=C1.
What is the InChIKey of (4S)-cyclohexa-1,5-diene-1,4-dithiol?
The InChIKey is AJOLDBFGRKRSPF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8S2/c7-5-1-2-6(8)4-3-5/h1-3,6-8H,4H2/t6-/m1/s1.
What are the key properties of (4S)-cyclohexa-1,5-diene-1,4-dithiol?
(4S)-cyclohexa-1,5-diene-1,4-dithiol has a molecular weight of 144.26 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-cyclohexa-1,5-diene-1,4-dithiol is sourced from PubChem (CID 88566638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).