4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione

C5H6F2S3 — CID 59128176

IUPAC4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione
SMILESCCC1(F)SC(=S)SC1F
InChIInChI=1S/C5H6F2S3/c1-2-5(7)3(6)9-4(8)10-5/h3H,2H2,1H3
InChIKeyUADAGOVXVAGNRG-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.12
Rot. Bonds1

About 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione

4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione (PubChem CID 59128176) has the molecular formula C5H6F2S3 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione.

Molecular Properties

Compound Name4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione
PubChem CID59128176
Molecular FormulaC5H6F2S3
Molecular Weight200.30 g/mol
Exact Mass199.96
IUPAC Name4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione
SMILESCCC1(F)SC(=S)SC1F
InChIInChI=1S/C5H6F2S3/c1-2-5(7)3(6)9-4(8)10-5/h3H,2H2,1H3
InChIKeyUADAGOVXVAGNRG-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione?
The IUPAC name of 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione (CID 59128176) is 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione.
What is the SMILES notation for 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione?
The canonical SMILES for 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione is CCC1(F)SC(=S)SC1F.
What is the InChIKey of 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione?
The InChIKey is UADAGOVXVAGNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2S3/c1-2-5(7)3(6)9-4(8)10-5/h3H,2H2,1H3.
What are the key properties of 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione?
4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione has a molecular weight of 200.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5-difluoro-1,3-dithiolane-2-thione is sourced from PubChem (CID 59128176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).