5H-tetrathiepine

C3H4S4 — CID 25055963

IUPAC5H-tetrathiepine
SMILESC1=CSSSSC1
InChIInChI=1S/C3H4S4/c1-2-4-6-7-5-3-1/h1-2H,3H2
InChIKeyYKFYQPSYQAKEOC-UHFFFAOYSA-N
MW168.33 g/mol
LogP3.19
Rot. Bonds

About 5H-tetrathiepine

5H-tetrathiepine (PubChem CID 25055963) has the molecular formula C3H4S4 and a molecular weight of 168.33 g/mol. Its IUPAC name is 5H-tetrathiepine.

Molecular Properties

Compound Name5H-tetrathiepine
PubChem CID25055963
Molecular FormulaC3H4S4
Molecular Weight168.33 g/mol
Exact Mass167.92
IUPAC Name5H-tetrathiepine
SMILESC1=CSSSSC1
InChIInChI=1S/C3H4S4/c1-2-4-6-7-5-3-1/h1-2H,3H2
InChIKeyYKFYQPSYQAKEOC-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.33
LogP ≤ 53.19
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 5H-tetrathiepine?
The IUPAC name of 5H-tetrathiepine (CID 25055963) is 5H-tetrathiepine.
What is the SMILES notation for 5H-tetrathiepine?
The canonical SMILES for 5H-tetrathiepine is C1=CSSSSC1.
What is the InChIKey of 5H-tetrathiepine?
The InChIKey is YKFYQPSYQAKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4S4/c1-2-4-6-7-5-3-1/h1-2H,3H2.
What are the key properties of 5H-tetrathiepine?
5H-tetrathiepine has a molecular weight of 168.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-tetrathiepine is sourced from PubChem (CID 25055963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).