tetrathiepane

C3H6S4 — CID 529755

IUPACtetrathiepane
SMILESC1CSSSSC1
InChIInChI=1S/C3H6S4/c1-2-4-6-7-5-3-1/h1-3H2
InChIKeyXWJXXFXDJDNFKB-UHFFFAOYSA-N
MW170.35 g/mol
LogP3.07
Rot. Bonds

About tetrathiepane

tetrathiepane (PubChem CID 529755) has the molecular formula C3H6S4 and a molecular weight of 170.35 g/mol. Its IUPAC name is tetrathiepane.

Molecular Properties

Compound Nametetrathiepane
PubChem CID529755
Molecular FormulaC3H6S4
Molecular Weight170.35 g/mol
Exact Mass169.94
IUPAC Nametetrathiepane
SMILESC1CSSSSC1
InChIInChI=1S/C3H6S4/c1-2-4-6-7-5-3-1/h1-3H2
InChIKeyXWJXXFXDJDNFKB-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tetrathiepane 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 tetrathiepane?
The IUPAC name of tetrathiepane (CID 529755) is tetrathiepane.
What is the SMILES notation for tetrathiepane?
The canonical SMILES for tetrathiepane is C1CSSSSC1.
What is the InChIKey of tetrathiepane?
The InChIKey is XWJXXFXDJDNFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S4/c1-2-4-6-7-5-3-1/h1-3H2.
What are the key properties of tetrathiepane?
tetrathiepane has a molecular weight of 170.35 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrathiepane is sourced from PubChem (CID 529755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).