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

C15H20S2 — CID 135850253

IUPAC2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene
SMILESC1=CC(SCCCCCSC2=CCC=C2)C=C1
InChIInChI=1S/C15H20S2/c1(6-12-16-14-8-2-3-9-14)7-13-17-15-10-4-5-11-15/h2-4,8-11,14H,1,5-7,12-13H2
InChIKeyUKQCQBBDQTUOQJ-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.96
Rot. Bonds8

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

2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene (PubChem CID 135850253) has the molecular formula C15H20S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene
PubChem CID135850253
Molecular FormulaC15H20S2
Molecular Weight264.46 g/mol
Exact Mass264.10
IUPAC Name2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene
SMILESC1=CC(SCCCCCSC2=CCC=C2)C=C1
InChIInChI=1S/C15H20S2/c1(6-12-16-14-8-2-3-9-14)7-13-17-15-10-4-5-11-15/h2-4,8-11,14H,1,5-7,12-13H2
InChIKeyUKQCQBBDQTUOQJ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene (CID 135850253) is 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene is C1=CC(SCCCCCSC2=CCC=C2)C=C1.
What is the InChIKey of 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene?
The InChIKey is UKQCQBBDQTUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S2/c1(6-12-16-14-8-2-3-9-14)7-13-17-15-10-4-5-11-15/h2-4,8-11,14H,1,5-7,12-13H2.
What are the key properties of 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene?
2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene has a molecular weight of 264.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene is sourced from PubChem (CID 135850253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).