2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole

C11H20S5 — CID 175164475

IUPAC2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole
SMILESCCSCCSCCSCCC1SC=CS1
InChIInChI=1S/C11H20S5/c1-2-12-5-6-14-8-7-13-4-3-11-15-9-10-16-11/h9-11H,2-8H2,1H3
InChIKeyPERNHHVFYYNXHX-UHFFFAOYSA-N
MW312.62 g/mol
LogP4.87
Rot. Bonds10

About 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole

2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole (PubChem CID 175164475) has the molecular formula C11H20S5 and a molecular weight of 312.62 g/mol. Its IUPAC name is 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole.

Molecular Properties

Compound Name2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole
PubChem CID175164475
Molecular FormulaC11H20S5
Molecular Weight312.62 g/mol
Exact Mass312.02
IUPAC Name2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole
SMILESCCSCCSCCSCCC1SC=CS1
InChIInChI=1S/C11H20S5/c1-2-12-5-6-14-8-7-13-4-3-11-15-9-10-16-11/h9-11H,2-8H2,1H3
InChIKeyPERNHHVFYYNXHX-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole?
The IUPAC name of 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole (CID 175164475) is 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole.
What is the SMILES notation for 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole?
The canonical SMILES for 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole is CCSCCSCCSCCC1SC=CS1.
What is the InChIKey of 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole?
The InChIKey is PERNHHVFYYNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S5/c1-2-12-5-6-14-8-7-13-4-3-11-15-9-10-16-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole?
2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole has a molecular weight of 312.62 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole is sourced from PubChem (CID 175164475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).