[(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane

C6H7ClS2 — CID 163731430

IUPAC[(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane
SMILESC=S=C/C=C(/Cl)C=S=C
InChIInChI=1S/C6H7ClS2/c1-8-4-3-6(7)5-9-2/h3-5H,1-2H2/b6-3+
InChIKeyKZWMNVQBSUBEFZ-ZZXKWVIFSA-N
MW178.71 g/mol
LogP2.04
Rot. Bonds2

About [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane

[(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane (PubChem CID 163731430) has the molecular formula C6H7ClS2 and a molecular weight of 178.71 g/mol. Its IUPAC name is [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane.

Molecular Properties

Compound Name[(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane
PubChem CID163731430
Molecular FormulaC6H7ClS2
Molecular Weight178.71 g/mol
Exact Mass177.97
IUPAC Name[(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane
SMILESC=S=C/C=C(/Cl)C=S=C
InChIInChI=1S/C6H7ClS2/c1-8-4-3-6(7)5-9-2/h3-5H,1-2H2/b6-3+
InChIKeyKZWMNVQBSUBEFZ-ZZXKWVIFSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane?
The IUPAC name of [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane (CID 163731430) is [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane.
What is the SMILES notation for [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane?
The canonical SMILES for [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane is C=S=C/C=C(/Cl)C=S=C.
What is the InChIKey of [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane?
The InChIKey is KZWMNVQBSUBEFZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H7ClS2/c1-8-4-3-6(7)5-9-2/h3-5H,1-2H2/b6-3+.
What are the key properties of [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane?
[(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane has a molecular weight of 178.71 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-4-(methylidene-λ4-sulfanylidene)but-2-enylidene]-methylidene-λ4-sulfane is sourced from PubChem (CID 163731430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).