2-fluoro-4-methylsulfanyl-1,3,5-triazine

C4H4FN3S — CID 54014626

IUPAC2-fluoro-4-methylsulfanyl-1,3,5-triazine
SMILESCSc1ncnc(F)n1
InChIInChI=1S/C4H4FN3S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3
InChIKeyBDJKYKIAQAYMEZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.73
Rot. Bonds1

About 2-fluoro-4-methylsulfanyl-1,3,5-triazine

2-fluoro-4-methylsulfanyl-1,3,5-triazine (PubChem CID 54014626) has the molecular formula C4H4FN3S and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-fluoro-4-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-methylsulfanyl-1,3,5-triazine
PubChem CID54014626
Molecular FormulaC4H4FN3S
Molecular Weight145.16 g/mol
Exact Mass145.01
IUPAC Name2-fluoro-4-methylsulfanyl-1,3,5-triazine
SMILESCSc1ncnc(F)n1
InChIInChI=1S/C4H4FN3S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3
InChIKeyBDJKYKIAQAYMEZ-UHFFFAOYSA-N
XLogP0.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-methylsulfanyl-1,3,5-triazine (CID 54014626) is 2-fluoro-4-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-methylsulfanyl-1,3,5-triazine is CSc1ncnc(F)n1.
What is the InChIKey of 2-fluoro-4-methylsulfanyl-1,3,5-triazine?
The InChIKey is BDJKYKIAQAYMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3.
What are the key properties of 2-fluoro-4-methylsulfanyl-1,3,5-triazine?
2-fluoro-4-methylsulfanyl-1,3,5-triazine has a molecular weight of 145.16 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 54014626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).