4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine

C10H6ClFN2S — CID 60726270

IUPAC4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2cc(Cl)ncn2)cc1
InChIInChI=1S/C10H6ClFN2S/c11-9-5-10(14-6-13-9)15-8-3-1-7(12)2-4-8/h1-6H
InChIKeyHUSVZPXHGNLEBI-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine

4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine (PubChem CID 60726270) has the molecular formula C10H6ClFN2S and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine
PubChem CID60726270
Molecular FormulaC10H6ClFN2S
Molecular Weight240.69 g/mol
Exact Mass239.99
IUPAC Name4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2cc(Cl)ncn2)cc1
InChIInChI=1S/C10H6ClFN2S/c11-9-5-10(14-6-13-9)15-8-3-1-7(12)2-4-8/h1-6H
InChIKeyHUSVZPXHGNLEBI-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 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine (CID 60726270) is 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine is Fc1ccc(Sc2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine?
The InChIKey is HUSVZPXHGNLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2S/c11-9-5-10(14-6-13-9)15-8-3-1-7(12)2-4-8/h1-6H.
What are the key properties of 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine?
4-chloro-6-(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 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 60726270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).