4-chloro-6-fluoro-2-methylsulfanylquinazoline

C9H6ClFN2S — CID 46738210

IUPAC4-chloro-6-fluoro-2-methylsulfanylquinazoline
SMILESCSc1nc(Cl)c2cc(F)ccc2n1
InChIInChI=1S/C9H6ClFN2S/c1-14-9-12-7-3-2-5(11)4-6(7)8(10)13-9/h2-4H,1H3
InChIKeyFQBIRRSPJQSOPW-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.14
Rot. Bonds1

About 4-chloro-6-fluoro-2-methylsulfanylquinazoline

4-chloro-6-fluoro-2-methylsulfanylquinazoline (PubChem CID 46738210) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-methylsulfanylquinazoline
PubChem CID46738210
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name4-chloro-6-fluoro-2-methylsulfanylquinazoline
SMILESCSc1nc(Cl)c2cc(F)ccc2n1
InChIInChI=1S/C9H6ClFN2S/c1-14-9-12-7-3-2-5(11)4-6(7)8(10)13-9/h2-4H,1H3
InChIKeyFQBIRRSPJQSOPW-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-methylsulfanylquinazoline?
The IUPAC name of 4-chloro-6-fluoro-2-methylsulfanylquinazoline (CID 46738210) is 4-chloro-6-fluoro-2-methylsulfanylquinazoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-methylsulfanylquinazoline?
The canonical SMILES for 4-chloro-6-fluoro-2-methylsulfanylquinazoline is CSc1nc(Cl)c2cc(F)ccc2n1.
What is the InChIKey of 4-chloro-6-fluoro-2-methylsulfanylquinazoline?
The InChIKey is FQBIRRSPJQSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c1-14-9-12-7-3-2-5(11)4-6(7)8(10)13-9/h2-4H,1H3.
What are the key properties of 4-chloro-6-fluoro-2-methylsulfanylquinazoline?
4-chloro-6-fluoro-2-methylsulfanylquinazoline has a molecular weight of 228.68 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-methylsulfanylquinazoline is sourced from PubChem (CID 46738210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).