4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine

C6H5F5N4S — CID 83084720

IUPAC4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H5F5N4S/c1-16-4-14-2(13-3(12)15-4)5(7,8)6(9,10)11/h1H3,(H2,12,13,14,15)
InChIKeyJSFROMXVTAEPSK-UHFFFAOYSA-N
MW260.19 g/mol
LogP1.83
Rot. Bonds2

About 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 83084720) has the molecular formula C6H5F5N4S and a molecular weight of 260.19 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
PubChem CID83084720
Molecular FormulaC6H5F5N4S
Molecular Weight260.19 g/mol
Exact Mass260.02
IUPAC Name4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H5F5N4S/c1-16-4-14-2(13-3(12)15-4)5(7,8)6(9,10)11/h1H3,(H2,12,13,14,15)
InChIKeyJSFROMXVTAEPSK-UHFFFAOYSA-N
XLogP1.83
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(Methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244968
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
2,4-Bis(methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 172228248
4-(Difluoromethyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 83083901
4-Methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 83083995
4-Methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 83084326
4-Methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine
CID 83084477
4-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 103309483
4-(Fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 130738995

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine (CID 83084720) is 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is JSFROMXVTAEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N4S/c1-16-4-14-2(13-3(12)15-4)5(7,8)6(9,10)11/h1H3,(H2,12,13,14,15).
What are the key properties of 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 260.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).