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

C6H6F4N4S — CID 83084477

IUPAC4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)(F)C(F)F)n1
InChIInChI=1S/C6H6F4N4S/c1-15-5-13-3(12-4(11)14-5)6(9,10)2(7)8/h2H,1H3,(H2,11,12,13,14)
InChIKeyWKERVACTWHZCND-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.53
Rot. Bonds3

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

4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 83084477) has the molecular formula C6H6F4N4S and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine
PubChem CID83084477
Molecular FormulaC6H6F4N4S
Molecular Weight242.20 g/mol
Exact Mass242.02
IUPAC Name4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)(F)C(F)F)n1
InChIInChI=1S/C6H6F4N4S/c1-15-5-13-3(12-4(11)14-5)6(9,10)2(7)8/h2H,1H3,(H2,11,12,13,14)
InChIKeyWKERVACTWHZCND-UHFFFAOYSA-N
XLogP1.53
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
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
4-(Tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 2782087
6-(1,1,2,2-Tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14772531
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-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
CID 83084720

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine (CID 83084477) is 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(F)(F)C(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is WKERVACTWHZCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N4S/c1-15-5-13-3(12-4(11)14-5)6(9,10)2(7)8/h2H,1H3,(H2,11,12,13,14).
What are the key properties of 4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 242.20 g/mol, XLogP of 1.53, 3 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-tetrafluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).