(trifluoromethyldisulfanyl)ethane

C3H5F3S2 — CID 595492

IUPAC(trifluoromethyldisulfanyl)ethane
SMILESCCSSC(F)(F)F
InChIInChI=1S/C3H5F3S2/c1-2-7-8-3(4,5)6/h2H2,1H3
InChIKeyMTLRRZISTVKFFN-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.91
Rot. Bonds2

About (trifluoromethyldisulfanyl)ethane

(trifluoromethyldisulfanyl)ethane (PubChem CID 595492) has the molecular formula C3H5F3S2 and a molecular weight of 162.20 g/mol. Its IUPAC name is (trifluoromethyldisulfanyl)ethane.

Molecular Properties

Compound Name(trifluoromethyldisulfanyl)ethane
PubChem CID595492
Molecular FormulaC3H5F3S2
Molecular Weight162.20 g/mol
Exact Mass161.98
IUPAC Name(trifluoromethyldisulfanyl)ethane
SMILESCCSSC(F)(F)F
InChIInChI=1S/C3H5F3S2/c1-2-7-8-3(4,5)6/h2H2,1H3
InChIKeyMTLRRZISTVKFFN-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.91
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 (trifluoromethyldisulfanyl)ethane?
The IUPAC name of (trifluoromethyldisulfanyl)ethane (CID 595492) is (trifluoromethyldisulfanyl)ethane.
What is the SMILES notation for (trifluoromethyldisulfanyl)ethane?
The canonical SMILES for (trifluoromethyldisulfanyl)ethane is CCSSC(F)(F)F.
What is the InChIKey of (trifluoromethyldisulfanyl)ethane?
The InChIKey is MTLRRZISTVKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S2/c1-2-7-8-3(4,5)6/h2H2,1H3.
What are the key properties of (trifluoromethyldisulfanyl)ethane?
(trifluoromethyldisulfanyl)ethane has a molecular weight of 162.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (trifluoromethyldisulfanyl)ethane is sourced from PubChem (CID 595492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).