1,4-diselenan-2-ylmethanedithiol

C5H10S2Se2 — CID 18760609

IUPAC1,4-diselenan-2-ylmethanedithiol
SMILESSC(S)C1C[Se]CC[Se]1
InChIInChI=1S/C5H10S2Se2/c6-5(7)4-3-8-1-2-9-4/h4-7H,1-3H2
InChIKeyZFWJMTRMLLCGPU-UHFFFAOYSA-N
MW292.19 g/mol
LogP1.64
Rot. Bonds1

About 1,4-diselenan-2-ylmethanedithiol

1,4-diselenan-2-ylmethanedithiol (PubChem CID 18760609) has the molecular formula C5H10S2Se2 and a molecular weight of 292.19 g/mol. Its IUPAC name is 1,4-diselenan-2-ylmethanedithiol.

Molecular Properties

Compound Name1,4-diselenan-2-ylmethanedithiol
PubChem CID18760609
Molecular FormulaC5H10S2Se2
Molecular Weight292.19 g/mol
Exact Mass293.86
IUPAC Name1,4-diselenan-2-ylmethanedithiol
SMILESSC(S)C1C[Se]CC[Se]1
InChIInChI=1S/C5H10S2Se2/c6-5(7)4-3-8-1-2-9-4/h4-7H,1-3H2
InChIKeyZFWJMTRMLLCGPU-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-diselenan-2-ylmethanedithiol?
The IUPAC name of 1,4-diselenan-2-ylmethanedithiol (CID 18760609) is 1,4-diselenan-2-ylmethanedithiol.
What is the SMILES notation for 1,4-diselenan-2-ylmethanedithiol?
The canonical SMILES for 1,4-diselenan-2-ylmethanedithiol is SC(S)C1C[Se]CC[Se]1.
What is the InChIKey of 1,4-diselenan-2-ylmethanedithiol?
The InChIKey is ZFWJMTRMLLCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2Se2/c6-5(7)4-3-8-1-2-9-4/h4-7H,1-3H2.
What are the key properties of 1,4-diselenan-2-ylmethanedithiol?
1,4-diselenan-2-ylmethanedithiol has a molecular weight of 292.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diselenan-2-ylmethanedithiol is sourced from PubChem (CID 18760609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).