2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione

C10H9FN4S — CID 83241656

IUPAC2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccc(F)cc1-c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C10H9FN4S/c1-5-2-3-6(11)4-7(5)8-13-9(12)15-10(16)14-8/h2-4H,1H3,(H3,12,13,14,15,16)
InChIKeySFXIJRUZRRAAQK-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.23
Rot. Bonds1

About 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione (PubChem CID 83241656) has the molecular formula C10H9FN4S and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione
PubChem CID83241656
Molecular FormulaC10H9FN4S
Molecular Weight236.28 g/mol
Exact Mass236.05
IUPAC Name2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccc(F)cc1-c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C10H9FN4S/c1-5-2-3-6(11)4-7(5)8-13-9(12)15-10(16)14-8/h2-4H,1H3,(H3,12,13,14,15,16)
InChIKeySFXIJRUZRRAAQK-UHFFFAOYSA-N
XLogP2.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione (CID 83241656) is 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione is Cc1ccc(F)cc1-c1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is SFXIJRUZRRAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4S/c1-5-2-3-6(11)4-7(5)8-13-9(12)15-10(16)14-8/h2-4H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 236.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).