4-ethenyl-4H-1,3-dithiine

C6H8S2 — CID 91753515

IUPAC4-ethenyl-4H-1,3-dithiine
SMILESC=CC1C=CSCS1
InChIInChI=1S/C6H8S2/c1-2-6-3-4-7-5-8-6/h2-4,6H,1,5H2
InChIKeyAHVUAKSNJFPTNT-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.49
Rot. Bonds1

About 4-ethenyl-4H-1,3-dithiine

4-ethenyl-4H-1,3-dithiine (PubChem CID 91753515) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-ethenyl-4H-1,3-dithiine.

Molecular Properties

Compound Name4-ethenyl-4H-1,3-dithiine
PubChem CID91753515
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name4-ethenyl-4H-1,3-dithiine
SMILESC=CC1C=CSCS1
InChIInChI=1S/C6H8S2/c1-2-6-3-4-7-5-8-6/h2-4,6H,1,5H2
InChIKeyAHVUAKSNJFPTNT-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4H-1,3-dithiine?
The IUPAC name of 4-ethenyl-4H-1,3-dithiine (CID 91753515) is 4-ethenyl-4H-1,3-dithiine.
What is the SMILES notation for 4-ethenyl-4H-1,3-dithiine?
The canonical SMILES for 4-ethenyl-4H-1,3-dithiine is C=CC1C=CSCS1.
What is the InChIKey of 4-ethenyl-4H-1,3-dithiine?
The InChIKey is AHVUAKSNJFPTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-2-6-3-4-7-5-8-6/h2-4,6H,1,5H2.
What are the key properties of 4-ethenyl-4H-1,3-dithiine?
4-ethenyl-4H-1,3-dithiine has a molecular weight of 144.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4H-1,3-dithiine is sourced from PubChem (CID 91753515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).