(Z)-but-2-ene-1,4-dithiol

C4H8S2 — CID 12562716

IUPAC(Z)-but-2-ene-1,4-dithiol
SMILESSC/C=C\CS
InChIInChI=1S/C4H8S2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
InChIKeyFVXAIIVXIJVXRH-UPHRSURJSA-N
MW120.24 g/mol
LogP1.40
Rot. Bonds2

About (Z)-but-2-ene-1,4-dithiol

(Z)-but-2-ene-1,4-dithiol (PubChem CID 12562716) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is (Z)-but-2-ene-1,4-dithiol.

Molecular Properties

Compound Name(Z)-but-2-ene-1,4-dithiol
PubChem CID12562716
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Name(Z)-but-2-ene-1,4-dithiol
SMILESSC/C=C\CS
InChIInChI=1S/C4H8S2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
InChIKeyFVXAIIVXIJVXRH-UPHRSURJSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene-1,4-dithiol?
The IUPAC name of (Z)-but-2-ene-1,4-dithiol (CID 12562716) is (Z)-but-2-ene-1,4-dithiol.
What is the SMILES notation for (Z)-but-2-ene-1,4-dithiol?
The canonical SMILES for (Z)-but-2-ene-1,4-dithiol is SC/C=C\CS.
What is the InChIKey of (Z)-but-2-ene-1,4-dithiol?
The InChIKey is FVXAIIVXIJVXRH-UPHRSURJSA-N. The full InChI is InChI=1S/C4H8S2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-.
What are the key properties of (Z)-but-2-ene-1,4-dithiol?
(Z)-but-2-ene-1,4-dithiol has a molecular weight of 120.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene-1,4-dithiol is sourced from PubChem (CID 12562716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).