4-fluoro-3H-1,3-thiazole-2-thione

C3H2FNS2 — CID 67482132

IUPAC4-fluoro-3H-1,3-thiazole-2-thione
SMILESFc1csc(=S)[nH]1
InChIInChI=1S/C3H2FNS2/c4-2-1-7-3(6)5-2/h1H,(H,5,6)
InChIKeyVKNCXJXLYOIYAC-UHFFFAOYSA-N
MW135.19 g/mol
LogP1.94
Rot. Bonds

About 4-fluoro-3H-1,3-thiazole-2-thione

4-fluoro-3H-1,3-thiazole-2-thione (PubChem CID 67482132) has the molecular formula C3H2FNS2 and a molecular weight of 135.19 g/mol. Its IUPAC name is 4-fluoro-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-fluoro-3H-1,3-thiazole-2-thione
PubChem CID67482132
Molecular FormulaC3H2FNS2
Molecular Weight135.19 g/mol
Exact Mass134.96
IUPAC Name4-fluoro-3H-1,3-thiazole-2-thione
SMILESFc1csc(=S)[nH]1
InChIInChI=1S/C3H2FNS2/c4-2-1-7-3(6)5-2/h1H,(H,5,6)
InChIKeyVKNCXJXLYOIYAC-UHFFFAOYSA-N
XLogP1.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-3H-1,3-thiazole-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 4-fluoro-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-fluoro-3H-1,3-thiazole-2-thione (CID 67482132) is 4-fluoro-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-fluoro-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-fluoro-3H-1,3-thiazole-2-thione is Fc1csc(=S)[nH]1.
What is the InChIKey of 4-fluoro-3H-1,3-thiazole-2-thione?
The InChIKey is VKNCXJXLYOIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FNS2/c4-2-1-7-3(6)5-2/h1H,(H,5,6).
What are the key properties of 4-fluoro-3H-1,3-thiazole-2-thione?
4-fluoro-3H-1,3-thiazole-2-thione has a molecular weight of 135.19 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 67482132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).