2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene

C14H18S2 — CID 135850252

IUPAC2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene
SMILESC1=CC(SCCCCSC2=CCC=C2)C=C1
InChIInChI=1S/C14H18S2/c1-2-8-13(7-1)15-11-5-6-12-16-14-9-3-4-10-14/h1-3,7-10,13H,4-6,11-12H2
InChIKeyBKGVQPFFWRGYAJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.57
Rot. Bonds7

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

2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene (PubChem CID 135850252) has the molecular formula C14H18S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene
PubChem CID135850252
Molecular FormulaC14H18S2
Molecular Weight250.43 g/mol
Exact Mass250.08
IUPAC Name2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene
SMILESC1=CC(SCCCCSC2=CCC=C2)C=C1
InChIInChI=1S/C14H18S2/c1-2-8-13(7-1)15-11-5-6-12-16-14-9-3-4-10-14/h1-3,7-10,13H,4-6,11-12H2
InChIKeyBKGVQPFFWRGYAJ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.57
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-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene (CID 135850252) is 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene is C1=CC(SCCCCSC2=CCC=C2)C=C1.
What is the InChIKey of 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene?
The InChIKey is BKGVQPFFWRGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S2/c1-2-8-13(7-1)15-11-5-6-12-16-14-9-3-4-10-14/h1-3,7-10,13H,4-6,11-12H2.
What are the key properties of 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene?
2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene has a molecular weight of 250.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene is sourced from PubChem (CID 135850252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).