cyclopenta-1,4-diene-1,3-dithiol

C5H6S2 — CID 174436557

IUPACcyclopenta-1,4-diene-1,3-dithiol
SMILESSC1=CC(S)C=C1
InChIInChI=1S/C5H6S2/c6-4-1-2-5(7)3-4/h1-4,6-7H
InChIKeyLYJDBHVRQJXHTB-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.67
Rot. Bonds

About cyclopenta-1,4-diene-1,3-dithiol

cyclopenta-1,4-diene-1,3-dithiol (PubChem CID 174436557) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is cyclopenta-1,4-diene-1,3-dithiol.

Molecular Properties

Compound Namecyclopenta-1,4-diene-1,3-dithiol
PubChem CID174436557
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Namecyclopenta-1,4-diene-1,3-dithiol
SMILESSC1=CC(S)C=C1
InChIInChI=1S/C5H6S2/c6-4-1-2-5(7)3-4/h1-4,6-7H
InChIKeyLYJDBHVRQJXHTB-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-diene-1,3-dithiol?
The IUPAC name of cyclopenta-1,4-diene-1,3-dithiol (CID 174436557) is cyclopenta-1,4-diene-1,3-dithiol.
What is the SMILES notation for cyclopenta-1,4-diene-1,3-dithiol?
The canonical SMILES for cyclopenta-1,4-diene-1,3-dithiol is SC1=CC(S)C=C1.
What is the InChIKey of cyclopenta-1,4-diene-1,3-dithiol?
The InChIKey is LYJDBHVRQJXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S2/c6-4-1-2-5(7)3-4/h1-4,6-7H.
What are the key properties of cyclopenta-1,4-diene-1,3-dithiol?
cyclopenta-1,4-diene-1,3-dithiol has a molecular weight of 130.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-diene-1,3-dithiol is sourced from PubChem (CID 174436557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).