2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide

C6H11F3N2OS2 — CID 88942111

IUPAC2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide
SMILESCC(SCCSC(F)(F)F)C(=O)NN
InChIInChI=1S/C6H11F3N2OS2/c1-4(5(12)11-10)13-2-3-14-6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyHGXUIHMLRMSBIC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.35
Rot. Bonds5

About 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide

2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide (PubChem CID 88942111) has the molecular formula C6H11F3N2OS2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide
PubChem CID88942111
Molecular FormulaC6H11F3N2OS2
Molecular Weight248.29 g/mol
Exact Mass248.03
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide
SMILESCC(SCCSC(F)(F)F)C(=O)NN
InChIInChI=1S/C6H11F3N2OS2/c1-4(5(12)11-10)13-2-3-14-6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyHGXUIHMLRMSBIC-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide (CID 88942111) is 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide is CC(SCCSC(F)(F)F)C(=O)NN.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide?
The InChIKey is HGXUIHMLRMSBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2OS2/c1-4(5(12)11-10)13-2-3-14-6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide?
2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide has a molecular weight of 248.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide is sourced from PubChem (CID 88942111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).