2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine

C8H4ClFN2S2 — CID 79076727

IUPAC2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1cccs1
InChIInChI=1S/C8H4ClFN2S2/c9-8-11-4-5(10)7(12-8)14-6-2-1-3-13-6/h1-4H
InChIKeyRLIJLGYVJLMPAL-UHFFFAOYSA-N
MW246.72 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine

2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine (PubChem CID 79076727) has the molecular formula C8H4ClFN2S2 and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine
PubChem CID79076727
Molecular FormulaC8H4ClFN2S2
Molecular Weight246.72 g/mol
Exact Mass245.95
IUPAC Name2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1cccs1
InChIInChI=1S/C8H4ClFN2S2/c9-8-11-4-5(10)7(12-8)14-6-2-1-3-13-6/h1-4H
InChIKeyRLIJLGYVJLMPAL-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine (CID 79076727) is 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine is Fc1cnc(Cl)nc1Sc1cccs1.
What is the InChIKey of 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine?
The InChIKey is RLIJLGYVJLMPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S2/c9-8-11-4-5(10)7(12-8)14-6-2-1-3-13-6/h1-4H.
What are the key properties of 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine?
2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine has a molecular weight of 246.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 79076727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).