6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione

C10H5Cl2FN2S — CID 106516337

IUPAC6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2FN2S/c11-6-2-1-5(3-7(6)12)9-8(13)4-14-10(16)15-9/h1-4H,(H,14,15,16)
InChIKeyLSJLTZFRYXKVMX-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.25
Rot. Bonds1

About 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione

6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione (PubChem CID 106516337) has the molecular formula C10H5Cl2FN2S and a molecular weight of 275.14 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
PubChem CID106516337
Molecular FormulaC10H5Cl2FN2S
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2FN2S/c11-6-2-1-5(3-7(6)12)9-8(13)4-14-10(16)15-9/h1-4H,(H,14,15,16)
InChIKeyLSJLTZFRYXKVMX-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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Related Compounds

5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106515789
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520460
6-(4-cyclobutylphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106521756
6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
5-fluoro-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106522970
5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106516785
6-(3-chlorophenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106515590
5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
CID 130649775
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
The IUPAC name of 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione (CID 106516337) is 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione is Fc1cnc(=S)[nH]c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
The InChIKey is LSJLTZFRYXKVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2S/c11-6-2-1-5(3-7(6)12)9-8(13)4-14-10(16)15-9/h1-4H,(H,14,15,16).
What are the key properties of 6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione?
6-(3,4-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-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione is sourced from PubChem (CID 106516337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).