(difluoromethyldisulfanyl)ethane

C3H6F2S2 — CID 87154800

IUPAC(difluoromethyldisulfanyl)ethane
SMILESCCSSC(F)F
InChIInChI=1S/C3H6F2S2/c1-2-6-7-3(4)5/h3H,2H2,1H3
InChIKeyGHOMHNVCPJKPDX-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.61
Rot. Bonds3

About (difluoromethyldisulfanyl)ethane

(difluoromethyldisulfanyl)ethane (PubChem CID 87154800) has the molecular formula C3H6F2S2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (difluoromethyldisulfanyl)ethane.

Molecular Properties

Compound Name(difluoromethyldisulfanyl)ethane
PubChem CID87154800
Molecular FormulaC3H6F2S2
Molecular Weight144.21 g/mol
Exact Mass143.99
IUPAC Name(difluoromethyldisulfanyl)ethane
SMILESCCSSC(F)F
InChIInChI=1S/C3H6F2S2/c1-2-6-7-3(4)5/h3H,2H2,1H3
InChIKeyGHOMHNVCPJKPDX-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (difluoromethyldisulfanyl)ethane?
The IUPAC name of (difluoromethyldisulfanyl)ethane (CID 87154800) is (difluoromethyldisulfanyl)ethane.
What is the SMILES notation for (difluoromethyldisulfanyl)ethane?
The canonical SMILES for (difluoromethyldisulfanyl)ethane is CCSSC(F)F.
What is the InChIKey of (difluoromethyldisulfanyl)ethane?
The InChIKey is GHOMHNVCPJKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2S2/c1-2-6-7-3(4)5/h3H,2H2,1H3.
What are the key properties of (difluoromethyldisulfanyl)ethane?
(difluoromethyldisulfanyl)ethane has a molecular weight of 144.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (difluoromethyldisulfanyl)ethane is sourced from PubChem (CID 87154800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).