2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine

C9H12F3N3S3 — CID 58689481

IUPAC2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine
SMILESCCSc1nc(SCC)nc(SCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3S3/c1-3-16-6-13-7(17-4-2)15-8(14-6)18-5-9(10,11)12/h3-5H2,1-2H3
InChIKeyIDIAPFIYTAGPBS-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.75
Rot. Bonds6

About 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine

2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine (PubChem CID 58689481) has the molecular formula C9H12F3N3S3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine
PubChem CID58689481
Molecular FormulaC9H12F3N3S3
Molecular Weight315.41 g/mol
Exact Mass315.01
IUPAC Name2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine
SMILESCCSc1nc(SCC)nc(SCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3S3/c1-3-16-6-13-7(17-4-2)15-8(14-6)18-5-9(10,11)12/h3-5H2,1-2H3
InChIKeyIDIAPFIYTAGPBS-UHFFFAOYSA-N
XLogP3.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine (CID 58689481) is 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine is CCSc1nc(SCC)nc(SCC(F)(F)F)n1.
What is the InChIKey of 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine?
The InChIKey is IDIAPFIYTAGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S3/c1-3-16-6-13-7(17-4-2)15-8(14-6)18-5-9(10,11)12/h3-5H2,1-2H3.
What are the key properties of 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine?
2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine has a molecular weight of 315.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethylsulfanyl)-6-(2,2,2-trifluoroethylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).