5-fluoro-3H-1,3-benzoxazole-2-thione

C7H4FNOS — CID 10797208

IUPAC5-fluoro-3H-1,3-benzoxazole-2-thione
SMILESFc1ccc2oc(=S)[nH]c2c1
InChIInChI=1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKeyUVHVJSJZCPFGET-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.63
Rot. Bonds

About 5-fluoro-3H-1,3-benzoxazole-2-thione

5-fluoro-3H-1,3-benzoxazole-2-thione (PubChem CID 10797208) has the molecular formula C7H4FNOS and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-fluoro-3H-1,3-benzoxazole-2-thione.

Molecular Properties

Compound Name5-fluoro-3H-1,3-benzoxazole-2-thione
PubChem CID10797208
Molecular FormulaC7H4FNOS
Molecular Weight169.18 g/mol
Exact Mass169.00
IUPAC Name5-fluoro-3H-1,3-benzoxazole-2-thione
SMILESFc1ccc2oc(=S)[nH]c2c1
InChIInChI=1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKeyUVHVJSJZCPFGET-UHFFFAOYSA-N
XLogP2.63
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-3H-1,3-benzoxazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3H-1,3-benzoxazole-2-thione?
The IUPAC name of 5-fluoro-3H-1,3-benzoxazole-2-thione (CID 10797208) is 5-fluoro-3H-1,3-benzoxazole-2-thione.
What is the SMILES notation for 5-fluoro-3H-1,3-benzoxazole-2-thione?
The canonical SMILES for 5-fluoro-3H-1,3-benzoxazole-2-thione is Fc1ccc2oc(=S)[nH]c2c1.
What is the InChIKey of 5-fluoro-3H-1,3-benzoxazole-2-thione?
The InChIKey is UVHVJSJZCPFGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11).
What are the key properties of 5-fluoro-3H-1,3-benzoxazole-2-thione?
5-fluoro-3H-1,3-benzoxazole-2-thione has a molecular weight of 169.18 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3H-1,3-benzoxazole-2-thione is sourced from PubChem (CID 10797208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).