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

C9H7FN2S — CID 106505548

IUPAC8-fluoro-2-methyl-1H-quinazoline-4-thione
SMILESCc1nc(=S)c2cccc(F)c2[nH]1
InChIInChI=1S/C9H7FN2S/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,1H3,(H,11,12,13)
InChIKeyWFUJADCGRWZAGL-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.74
Rot. Bonds

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

8-fluoro-2-methyl-1H-quinazoline-4-thione (PubChem CID 106505548) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-fluoro-2-methyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name8-fluoro-2-methyl-1H-quinazoline-4-thione
PubChem CID106505548
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name8-fluoro-2-methyl-1H-quinazoline-4-thione
SMILESCc1nc(=S)c2cccc(F)c2[nH]1
InChIInChI=1S/C9H7FN2S/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,1H3,(H,11,12,13)
InChIKeyWFUJADCGRWZAGL-UHFFFAOYSA-N
XLogP2.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.74
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 8-fluoro-2-methyl-1H-quinazoline-4-thione?
The IUPAC name of 8-fluoro-2-methyl-1H-quinazoline-4-thione (CID 106505548) is 8-fluoro-2-methyl-1H-quinazoline-4-thione.
What is the SMILES notation for 8-fluoro-2-methyl-1H-quinazoline-4-thione?
The canonical SMILES for 8-fluoro-2-methyl-1H-quinazoline-4-thione is Cc1nc(=S)c2cccc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-2-methyl-1H-quinazoline-4-thione?
The InChIKey is WFUJADCGRWZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,1H3,(H,11,12,13).
What are the key properties of 8-fluoro-2-methyl-1H-quinazoline-4-thione?
8-fluoro-2-methyl-1H-quinazoline-4-thione has a molecular weight of 194.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-1H-quinazoline-4-thione is sourced from PubChem (CID 106505548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).