3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine

C7H8F3N3S2 — CID 106678538

IUPAC3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCCSC(F)(F)F
InChIInChI=1S/C7H8F3N3S2/c8-7(9,10)15-4-3-14-6-5(11)12-1-2-13-6/h1-2H,3-4H2,(H2,11,12)
InChIKeyCMSWCZWMHYACAY-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.40
Rot. Bonds4

About 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine

3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine (PubChem CID 106678538) has the molecular formula C7H8F3N3S2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine
PubChem CID106678538
Molecular FormulaC7H8F3N3S2
Molecular Weight255.29 g/mol
Exact Mass255.01
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCCSC(F)(F)F
InChIInChI=1S/C7H8F3N3S2/c8-7(9,10)15-4-3-14-6-5(11)12-1-2-13-6/h1-2H,3-4H2,(H2,11,12)
InChIKeyCMSWCZWMHYACAY-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine (CID 106678538) is 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCCSC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine?
The InChIKey is CMSWCZWMHYACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S2/c8-7(9,10)15-4-3-14-6-5(11)12-1-2-13-6/h1-2H,3-4H2,(H2,11,12).
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine?
3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine has a molecular weight of 255.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).