6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione

C10H5Cl2FN2S — CID 106514060

IUPAC6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2FN2S/c11-6-3-1-2-5(8(6)12)9-7(13)4-14-10(16)15-9/h1-4H,(H,14,15,16)
InChIKeyMPJFOUYAZBYUEL-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.25
Rot. Bonds1

About 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione

6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione (PubChem CID 106514060) has the molecular formula C10H5Cl2FN2S and a molecular weight of 275.14 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
PubChem CID106514060
Molecular FormulaC10H5Cl2FN2S
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2FN2S/c11-6-3-1-2-5(8(6)12)9-7(13)4-14-10(16)15-9/h1-4H,(H,14,15,16)
InChIKeyMPJFOUYAZBYUEL-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.25
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-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
The IUPAC name of 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione (CID 106514060) is 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione is Fc1cnc(=S)[nH]c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
The InChIKey is MPJFOUYAZBYUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2S/c11-6-3-1-2-5(8(6)12)9-7(13)4-14-10(16)15-9/h1-4H,(H,14,15,16).
What are the key properties of 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione has a molecular weight of 275.14 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione is sourced from PubChem (CID 106514060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).