(3Z)-buta-1,3-diene-1,4-dithiol

C4H6S2 — CID 131990576

IUPAC(3Z)-buta-1,3-diene-1,4-dithiol
SMILESSC=C/C=C\S
InChIInChI=1S/C4H6S2/c5-3-1-2-4-6/h1-6H/b3-1-,4-2?
InChIKeyDBBTXVMUAMKPJT-PBIXIIOPSA-N
MW118.23 g/mol
LogP1.87
Rot. Bonds1

About (3Z)-buta-1,3-diene-1,4-dithiol

(3Z)-buta-1,3-diene-1,4-dithiol (PubChem CID 131990576) has the molecular formula C4H6S2 and a molecular weight of 118.23 g/mol. Its IUPAC name is (3Z)-buta-1,3-diene-1,4-dithiol.

Molecular Properties

Compound Name(3Z)-buta-1,3-diene-1,4-dithiol
PubChem CID131990576
Molecular FormulaC4H6S2
Molecular Weight118.23 g/mol
Exact Mass117.99
IUPAC Name(3Z)-buta-1,3-diene-1,4-dithiol
SMILESSC=C/C=C\S
InChIInChI=1S/C4H6S2/c5-3-1-2-4-6/h1-6H/b3-1-,4-2?
InChIKeyDBBTXVMUAMKPJT-PBIXIIOPSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-buta-1,3-diene-1,4-dithiol?
The IUPAC name of (3Z)-buta-1,3-diene-1,4-dithiol (CID 131990576) is (3Z)-buta-1,3-diene-1,4-dithiol.
What is the SMILES notation for (3Z)-buta-1,3-diene-1,4-dithiol?
The canonical SMILES for (3Z)-buta-1,3-diene-1,4-dithiol is SC=C/C=C\S.
What is the InChIKey of (3Z)-buta-1,3-diene-1,4-dithiol?
The InChIKey is DBBTXVMUAMKPJT-PBIXIIOPSA-N. The full InChI is InChI=1S/C4H6S2/c5-3-1-2-4-6/h1-6H/b3-1-,4-2?.
What are the key properties of (3Z)-buta-1,3-diene-1,4-dithiol?
(3Z)-buta-1,3-diene-1,4-dithiol has a molecular weight of 118.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-buta-1,3-diene-1,4-dithiol is sourced from PubChem (CID 131990576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).