1,4-diselenane-2,3,5,6-tetrathiol

C4H8S4Se2 — CID 18760653

IUPAC1,4-diselenane-2,3,5,6-tetrathiol
SMILESSC1[Se]C(S)C(S)[Se]C1S
InChIInChI=1S/C4H8S4Se2/c5-1-2(6)10-4(8)3(7)9-1/h1-8H
InChIKeyPRGWRFPLTFQYND-UHFFFAOYSA-N
MW342.30 g/mol
LogP0.43
Rot. Bonds

About 1,4-diselenane-2,3,5,6-tetrathiol

1,4-diselenane-2,3,5,6-tetrathiol (PubChem CID 18760653) has the molecular formula C4H8S4Se2 and a molecular weight of 342.30 g/mol. Its IUPAC name is 1,4-diselenane-2,3,5,6-tetrathiol.

Molecular Properties

Compound Name1,4-diselenane-2,3,5,6-tetrathiol
PubChem CID18760653
Molecular FormulaC4H8S4Se2
Molecular Weight342.30 g/mol
Exact Mass343.78
IUPAC Name1,4-diselenane-2,3,5,6-tetrathiol
SMILESSC1[Se]C(S)C(S)[Se]C1S
InChIInChI=1S/C4H8S4Se2/c5-1-2(6)10-4(8)3(7)9-1/h1-8H
InChIKeyPRGWRFPLTFQYND-UHFFFAOYSA-N
XLogP0.43
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diselenane-2,3,5,6-tetrathiol?
The IUPAC name of 1,4-diselenane-2,3,5,6-tetrathiol (CID 18760653) is 1,4-diselenane-2,3,5,6-tetrathiol.
What is the SMILES notation for 1,4-diselenane-2,3,5,6-tetrathiol?
The canonical SMILES for 1,4-diselenane-2,3,5,6-tetrathiol is SC1[Se]C(S)C(S)[Se]C1S.
What is the InChIKey of 1,4-diselenane-2,3,5,6-tetrathiol?
The InChIKey is PRGWRFPLTFQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4Se2/c5-1-2(6)10-4(8)3(7)9-1/h1-8H.
What are the key properties of 1,4-diselenane-2,3,5,6-tetrathiol?
1,4-diselenane-2,3,5,6-tetrathiol has a molecular weight of 342.30 g/mol, XLogP of 0.43, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diselenane-2,3,5,6-tetrathiol is sourced from PubChem (CID 18760653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).