5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine

C10H6ClFN2S — CID 57220565

IUPAC5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2cncnc2)c(Cl)c1
InChIInChI=1S/C10H6ClFN2S/c11-9-3-7(12)1-2-10(9)15-8-4-13-6-14-5-8/h1-6H
InChIKeyFTTAZEGDXORZLA-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.42
Rot. Bonds2

About 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine

5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine (PubChem CID 57220565) has the molecular formula C10H6ClFN2S and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine
PubChem CID57220565
Molecular FormulaC10H6ClFN2S
Molecular Weight240.69 g/mol
Exact Mass239.99
IUPAC Name5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2cncnc2)c(Cl)c1
InChIInChI=1S/C10H6ClFN2S/c11-9-3-7(12)1-2-10(9)15-8-4-13-6-14-5-8/h1-6H
InChIKeyFTTAZEGDXORZLA-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine (CID 57220565) is 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine is Fc1ccc(Sc2cncnc2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine?
The InChIKey is FTTAZEGDXORZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2S/c11-9-3-7(12)1-2-10(9)15-8-4-13-6-14-5-8/h1-6H.
What are the key properties of 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine?
5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine has a molecular weight of 240.69 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 57220565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).