5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene

C10H10O2S3 — CID 102011714

IUPAC5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene
SMILESO=S(=O)(SSC1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C10H10O2S3/c11-15(12,10-7-3-4-8-10)14-13-9-5-1-2-6-9/h1-10H
InChIKeyKPQAGWBOIRKAKH-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.69
Rot. Bonds4

About 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene

5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene (PubChem CID 102011714) has the molecular formula C10H10O2S3 and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene
PubChem CID102011714
Molecular FormulaC10H10O2S3
Molecular Weight258.39 g/mol
Exact Mass257.98
IUPAC Name5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene
SMILESO=S(=O)(SSC1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C10H10O2S3/c11-15(12,10-7-3-4-8-10)14-13-9-5-1-2-6-9/h1-10H
InChIKeyKPQAGWBOIRKAKH-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene (CID 102011714) is 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene is O=S(=O)(SSC1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene?
The InChIKey is KPQAGWBOIRKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S3/c11-15(12,10-7-3-4-8-10)14-13-9-5-1-2-6-9/h1-10H.
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene?
5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene has a molecular weight of 258.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylsulfonyldisulfanyl)cyclopenta-1,3-diene is sourced from PubChem (CID 102011714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).