6-(fluoromethyl)-1H-pyrimidine-2-thione

C5H5FN2S — CID 88974977

IUPAC6-(fluoromethyl)-1H-pyrimidine-2-thione
SMILESFCc1ccnc(=S)[nH]1
InChIInChI=1S/C5H5FN2S/c6-3-4-1-2-7-5(9)8-4/h1-2H,3H2,(H,7,8,9)
InChIKeyGVMCURVDSGSGGJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.61
Rot. Bonds1

About 6-(fluoromethyl)-1H-pyrimidine-2-thione

6-(fluoromethyl)-1H-pyrimidine-2-thione (PubChem CID 88974977) has the molecular formula C5H5FN2S and a molecular weight of 144.17 g/mol. Its IUPAC name is 6-(fluoromethyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(fluoromethyl)-1H-pyrimidine-2-thione
PubChem CID88974977
Molecular FormulaC5H5FN2S
Molecular Weight144.17 g/mol
Exact Mass144.02
IUPAC Name6-(fluoromethyl)-1H-pyrimidine-2-thione
SMILESFCc1ccnc(=S)[nH]1
InChIInChI=1S/C5H5FN2S/c6-3-4-1-2-7-5(9)8-4/h1-2H,3H2,(H,7,8,9)
InChIKeyGVMCURVDSGSGGJ-UHFFFAOYSA-N
XLogP1.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
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 6-(fluoromethyl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(fluoromethyl)-1H-pyrimidine-2-thione (CID 88974977) is 6-(fluoromethyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(fluoromethyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(fluoromethyl)-1H-pyrimidine-2-thione is FCc1ccnc(=S)[nH]1.
What is the InChIKey of 6-(fluoromethyl)-1H-pyrimidine-2-thione?
The InChIKey is GVMCURVDSGSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2S/c6-3-4-1-2-7-5(9)8-4/h1-2H,3H2,(H,7,8,9).
What are the key properties of 6-(fluoromethyl)-1H-pyrimidine-2-thione?
6-(fluoromethyl)-1H-pyrimidine-2-thione has a molecular weight of 144.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 88974977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).