(trifluoromethyltrisulfanyl)ethane

C3H5F3S3 — CID 533716

IUPAC(trifluoromethyltrisulfanyl)ethane
SMILESCCSSSC(F)(F)F
InChIInChI=1S/C3H5F3S3/c1-2-7-9-8-3(4,5)6/h2H2,1H3
InChIKeyBQLGHLGMLFLBTM-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.56
Rot. Bonds3

About (trifluoromethyltrisulfanyl)ethane

(trifluoromethyltrisulfanyl)ethane (PubChem CID 533716) has the molecular formula C3H5F3S3 and a molecular weight of 194.27 g/mol. Its IUPAC name is (trifluoromethyltrisulfanyl)ethane.

Molecular Properties

Compound Name(trifluoromethyltrisulfanyl)ethane
PubChem CID533716
Molecular FormulaC3H5F3S3
Molecular Weight194.27 g/mol
Exact Mass193.95
IUPAC Name(trifluoromethyltrisulfanyl)ethane
SMILESCCSSSC(F)(F)F
InChIInChI=1S/C3H5F3S3/c1-2-7-9-8-3(4,5)6/h2H2,1H3
InChIKeyBQLGHLGMLFLBTM-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (trifluoromethyltrisulfanyl)ethane?
The IUPAC name of (trifluoromethyltrisulfanyl)ethane (CID 533716) is (trifluoromethyltrisulfanyl)ethane.
What is the SMILES notation for (trifluoromethyltrisulfanyl)ethane?
The canonical SMILES for (trifluoromethyltrisulfanyl)ethane is CCSSSC(F)(F)F.
What is the InChIKey of (trifluoromethyltrisulfanyl)ethane?
The InChIKey is BQLGHLGMLFLBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S3/c1-2-7-9-8-3(4,5)6/h2H2,1H3.
What are the key properties of (trifluoromethyltrisulfanyl)ethane?
(trifluoromethyltrisulfanyl)ethane has a molecular weight of 194.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (trifluoromethyltrisulfanyl)ethane is sourced from PubChem (CID 533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).