5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione

C8H6FN3S — CID 838365

IUPAC5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESFc1ccccc1-c1nc(=S)[nH][nH]1
InChIInChI=1S/C8H6FN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKeyUOUUROSHCZTVFN-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.27
Rot. Bonds1

About 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 838365) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID838365
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESFc1ccccc1-c1nc(=S)[nH][nH]1
InChIInChI=1S/C8H6FN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKeyUOUUROSHCZTVFN-UHFFFAOYSA-N
XLogP2.27
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 838365) is 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is Fc1ccccc1-c1nc(=S)[nH][nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is UOUUROSHCZTVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13).
What are the key properties of 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 195.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 838365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).