2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane

C8H8S2 — CID 727023

IUPAC2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane
SMILESC1=CC(=C2SCCS2)C=C1
InChIInChI=1S/C8H8S2/c1-2-4-7(3-1)8-9-5-6-10-8/h1-4H,5-6H2
InChIKeyQGQBREBGIBKDOS-UHFFFAOYSA-N
MW168.29 g/mol
LogP2.80
Rot. Bonds

About 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane

2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane (PubChem CID 727023) has the molecular formula C8H8S2 and a molecular weight of 168.29 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane
PubChem CID727023
Molecular FormulaC8H8S2
Molecular Weight168.29 g/mol
Exact Mass168.01
IUPAC Name2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane
SMILESC1=CC(=C2SCCS2)C=C1
InChIInChI=1S/C8H8S2/c1-2-4-7(3-1)8-9-5-6-10-8/h1-4H,5-6H2
InChIKeyQGQBREBGIBKDOS-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane (CID 727023) is 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane is C1=CC(=C2SCCS2)C=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane?
The InChIKey is QGQBREBGIBKDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S2/c1-2-4-7(3-1)8-9-5-6-10-8/h1-4H,5-6H2.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane?
2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane has a molecular weight of 168.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane is sourced from PubChem (CID 727023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).