6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione

C10H6ClFN2S — CID 106523057

IUPAC6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione
SMILESFc1ccc(Cl)c(-c2cc(=S)nc[nH]2)c1
InChIInChI=1S/C10H6ClFN2S/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyAORKCRIEDWDTJQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.60
Rot. Bonds1

About 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione

6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione (PubChem CID 106523057) has the molecular formula C10H6ClFN2S and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione
PubChem CID106523057
Molecular FormulaC10H6ClFN2S
Molecular Weight240.69 g/mol
Exact Mass239.99
IUPAC Name6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione
SMILESFc1ccc(Cl)c(-c2cc(=S)nc[nH]2)c1
InChIInChI=1S/C10H6ClFN2S/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyAORKCRIEDWDTJQ-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.60
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-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione (CID 106523057) is 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione is Fc1ccc(Cl)c(-c2cc(=S)nc[nH]2)c1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione?
The InChIKey is AORKCRIEDWDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2S/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione?
6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione has a molecular weight of 240.69 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106523057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).