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

C9H6FN3S — CID 54463919

IUPAC2-fluoro-4-phenylsulfanyl-1,3,5-triazine
SMILESFc1ncnc(Sc2ccccc2)n1
InChIInChI=1S/C9H6FN3S/c10-8-11-6-12-9(13-8)14-7-4-2-1-3-5-7/h1-6H
InChIKeyRBYOUNSIQKIBCQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.16
Rot. Bonds2

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

2-fluoro-4-phenylsulfanyl-1,3,5-triazine (PubChem CID 54463919) has the molecular formula C9H6FN3S and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-fluoro-4-phenylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-phenylsulfanyl-1,3,5-triazine
PubChem CID54463919
Molecular FormulaC9H6FN3S
Molecular Weight207.23 g/mol
Exact Mass207.03
IUPAC Name2-fluoro-4-phenylsulfanyl-1,3,5-triazine
SMILESFc1ncnc(Sc2ccccc2)n1
InChIInChI=1S/C9H6FN3S/c10-8-11-6-12-9(13-8)14-7-4-2-1-3-5-7/h1-6H
InChIKeyRBYOUNSIQKIBCQ-UHFFFAOYSA-N
XLogP2.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-phenylsulfanyl-1,3,5-triazine (CID 54463919) is 2-fluoro-4-phenylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-phenylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-phenylsulfanyl-1,3,5-triazine is Fc1ncnc(Sc2ccccc2)n1.
What is the InChIKey of 2-fluoro-4-phenylsulfanyl-1,3,5-triazine?
The InChIKey is RBYOUNSIQKIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3S/c10-8-11-6-12-9(13-8)14-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-fluoro-4-phenylsulfanyl-1,3,5-triazine?
2-fluoro-4-phenylsulfanyl-1,3,5-triazine has a molecular weight of 207.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 54463919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).