2-ethyl-8-fluoro-1H-quinazoline-4-thione

C10H9FN2S — CID 106505547

IUPAC2-ethyl-8-fluoro-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2cccc(F)c2[nH]1
InChIInChI=1S/C10H9FN2S/c1-2-8-12-9-6(10(14)13-8)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyDUSBJIZMCXCIPW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.99
Rot. Bonds1

About 2-ethyl-8-fluoro-1H-quinazoline-4-thione

2-ethyl-8-fluoro-1H-quinazoline-4-thione (PubChem CID 106505547) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-8-fluoro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-ethyl-8-fluoro-1H-quinazoline-4-thione
PubChem CID106505547
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name2-ethyl-8-fluoro-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2cccc(F)c2[nH]1
InChIInChI=1S/C10H9FN2S/c1-2-8-12-9-6(10(14)13-8)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyDUSBJIZMCXCIPW-UHFFFAOYSA-N
XLogP2.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-fluoro-1H-quinazoline-4-thione?
The IUPAC name of 2-ethyl-8-fluoro-1H-quinazoline-4-thione (CID 106505547) is 2-ethyl-8-fluoro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-ethyl-8-fluoro-1H-quinazoline-4-thione?
The canonical SMILES for 2-ethyl-8-fluoro-1H-quinazoline-4-thione is CCc1nc(=S)c2cccc(F)c2[nH]1.
What is the InChIKey of 2-ethyl-8-fluoro-1H-quinazoline-4-thione?
The InChIKey is DUSBJIZMCXCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-2-8-12-9-6(10(14)13-8)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-8-fluoro-1H-quinazoline-4-thione?
2-ethyl-8-fluoro-1H-quinazoline-4-thione has a molecular weight of 208.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-fluoro-1H-quinazoline-4-thione is sourced from PubChem (CID 106505547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).