2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene

C10H10O2S2 — CID 162397857

IUPAC2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene
SMILESO=S(=O)(SC1=CCC=C1)C1=CC=CC1
InChIInChI=1S/C10H10O2S2/c11-14(12,10-7-3-4-8-10)13-9-5-1-2-6-9/h1,3-7H,2,8H2
InChIKeyPQJAAOKWAXBSTR-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.74
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene

2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene (PubChem CID 162397857) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene
PubChem CID162397857
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene
SMILESO=S(=O)(SC1=CCC=C1)C1=CC=CC1
InChIInChI=1S/C10H10O2S2/c11-14(12,10-7-3-4-8-10)13-9-5-1-2-6-9/h1,3-7H,2,8H2
InChIKeyPQJAAOKWAXBSTR-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene (CID 162397857) is 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene is O=S(=O)(SC1=CCC=C1)C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene?
The InChIKey is PQJAAOKWAXBSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c11-14(12,10-7-3-4-8-10)13-9-5-1-2-6-9/h1,3-7H,2,8H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene?
2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene has a molecular weight of 226.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylsulfonylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 162397857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).