2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole

C14H16S4 — CID 102520768

IUPAC2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
SMILESC1CCC(=C2SC3=C(S2)SC(=C2CCCC2)S3)C1
InChIInChI=1S/C14H16S4/c1-2-6-9(5-1)11-15-13-14(16-11)18-12(17-13)10-7-3-4-8-10/h1-8H2
InChIKeyJZTOZXYPQMOKTQ-UHFFFAOYSA-N
MW312.55 g/mol
LogP6.64
Rot. Bonds

About 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole

2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole (PubChem CID 102520768) has the molecular formula C14H16S4 and a molecular weight of 312.55 g/mol. Its IUPAC name is 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole.

Molecular Properties

Compound Name2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
PubChem CID102520768
Molecular FormulaC14H16S4
Molecular Weight312.55 g/mol
Exact Mass312.01
IUPAC Name2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
SMILESC1CCC(=C2SC3=C(S2)SC(=C2CCCC2)S3)C1
InChIInChI=1S/C14H16S4/c1-2-6-9(5-1)11-15-13-14(16-11)18-12(17-13)10-7-3-4-8-10/h1-8H2
InChIKeyJZTOZXYPQMOKTQ-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole?
The IUPAC name of 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole (CID 102520768) is 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole.
What is the SMILES notation for 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole?
The canonical SMILES for 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole is C1CCC(=C2SC3=C(S2)SC(=C2CCCC2)S3)C1.
What is the InChIKey of 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole?
The InChIKey is JZTOZXYPQMOKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S4/c1-2-6-9(5-1)11-15-13-14(16-11)18-12(17-13)10-7-3-4-8-10/h1-8H2.
What are the key properties of 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole?
2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole has a molecular weight of 312.55 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole is sourced from PubChem (CID 102520768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).