(Z)-1,4-bis(sulfosulfanyl)but-2-ene

C4H8O6S4 — CID 5387487

IUPAC(Z)-1,4-bis(sulfosulfanyl)but-2-ene
SMILESO=S(=O)(O)SC/C=C\CSS(=O)(=O)O
InChIInChI=1S/C4H8O6S4/c5-13(6,7)11-3-1-2-4-12-14(8,9)10/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10)/b2-1-
InChIKeyXDGHLICKMMGNKZ-UPHRSURJSA-N
MW280.37 g/mol
LogP0.61
Rot. Bonds6

About (Z)-1,4-bis(sulfosulfanyl)but-2-ene

(Z)-1,4-bis(sulfosulfanyl)but-2-ene (PubChem CID 5387487) has the molecular formula C4H8O6S4 and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-1,4-bis(sulfosulfanyl)but-2-ene.

Molecular Properties

Compound Name(Z)-1,4-bis(sulfosulfanyl)but-2-ene
PubChem CID5387487
Molecular FormulaC4H8O6S4
Molecular Weight280.37 g/mol
Exact Mass279.92
IUPAC Name(Z)-1,4-bis(sulfosulfanyl)but-2-ene
SMILESO=S(=O)(O)SC/C=C\CSS(=O)(=O)O
InChIInChI=1S/C4H8O6S4/c5-13(6,7)11-3-1-2-4-12-14(8,9)10/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10)/b2-1-
InChIKeyXDGHLICKMMGNKZ-UPHRSURJSA-N
XLogP0.61
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
The IUPAC name of (Z)-1,4-bis(sulfosulfanyl)but-2-ene (CID 5387487) is (Z)-1,4-bis(sulfosulfanyl)but-2-ene.
What is the SMILES notation for (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
The canonical SMILES for (Z)-1,4-bis(sulfosulfanyl)but-2-ene is O=S(=O)(O)SC/C=C\CSS(=O)(=O)O.
What is the InChIKey of (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
The InChIKey is XDGHLICKMMGNKZ-UPHRSURJSA-N. The full InChI is InChI=1S/C4H8O6S4/c5-13(6,7)11-3-1-2-4-12-14(8,9)10/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10)/b2-1-.
What are the key properties of (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
(Z)-1,4-bis(sulfosulfanyl)but-2-ene has a molecular weight of 280.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-bis(sulfosulfanyl)but-2-ene is sourced from PubChem (CID 5387487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).