1,2,5,6-tetrathiocane

C4H8S4 — CID 603488

IUPAC1,2,5,6-tetrathiocane
SMILESC1CSSCCSS1
InChIInChI=1S/C4H8S4/c1-2-6-8-4-3-7-5-1/h1-4H2
InChIKeyAKINNVDGHCPCAP-UHFFFAOYSA-N
MW184.38 g/mol
LogP2.76
Rot. Bonds

About 1,2,5,6-tetrathiocane

1,2,5,6-tetrathiocane (PubChem CID 603488) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 1,2,5,6-tetrathiocane.

Molecular Properties

Compound Name1,2,5,6-tetrathiocane
PubChem CID603488
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name1,2,5,6-tetrathiocane
SMILESC1CSSCCSS1
InChIInChI=1S/C4H8S4/c1-2-6-8-4-3-7-5-1/h1-4H2
InChIKeyAKINNVDGHCPCAP-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 52.76
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 1,2,5,6-tetrathiocane?
The IUPAC name of 1,2,5,6-tetrathiocane (CID 603488) is 1,2,5,6-tetrathiocane.
What is the SMILES notation for 1,2,5,6-tetrathiocane?
The canonical SMILES for 1,2,5,6-tetrathiocane is C1CSSCCSS1.
What is the InChIKey of 1,2,5,6-tetrathiocane?
The InChIKey is AKINNVDGHCPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c1-2-6-8-4-3-7-5-1/h1-4H2.
What are the key properties of 1,2,5,6-tetrathiocane?
1,2,5,6-tetrathiocane has a molecular weight of 184.38 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrathiocane is sourced from PubChem (CID 603488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).