2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine

C7H7F3N2S — CID 130635088

IUPAC2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine
SMILESCC(Sc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2S/c1-5(7(8,9)10)13-6-4-11-2-3-12-6/h2-5H,1H3
InChIKeyPBFHZOOUUGTMOG-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.52
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine

2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine (PubChem CID 130635088) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine
PubChem CID130635088
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine
SMILESCC(Sc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2S/c1-5(7(8,9)10)13-6-4-11-2-3-12-6/h2-5H,1H3
InChIKeyPBFHZOOUUGTMOG-UHFFFAOYSA-N
XLogP2.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 519907
2-(2-Propen-1-ylthio)pyrazine
CID 3025899
Pyrazine, (ethylthio)-
CID 528051
Pyrazin-2-yl thiocyanate
CID 817697
2-(3-Methyl-2-butenylthio)pyrazine
CID 22923305
2,3-Bis(methylthio)pyrazine
CID 54752808
2-Fluoro-3-propylsulfanylpyrazine
CID 85967017
2-(4,4-Difluorobut-3-enylsulfanyl)pyrazine
CID 21850579
2,3-Bis(4,4-difluorobut-3-enylsulfanyl)pyrazine
CID 21850585
(5-Methylsulfanylpyrazin-2-yl) thiohypofluorite
CID 172620328
2-(Trifluoromethylsulfanyl)pyrazine
CID 174055396
2-Propylsulfanylpyrazine
CID 12488726

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine (CID 130635088) is 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine is CC(Sc1cnccn1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine?
The InChIKey is PBFHZOOUUGTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-5(7(8,9)10)13-6-4-11-2-3-12-6/h2-5H,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine?
2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine has a molecular weight of 208.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-ylsulfanyl)pyrazine is sourced from PubChem (CID 130635088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).