3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole

C8H5FN2S2 — CID 154448516

IUPAC3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole
SMILESFc1ccc(Sc2cnsn2)cc1
InChIInChI=1S/C8H5FN2S2/c9-6-1-3-7(4-2-6)12-8-5-10-13-11-8/h1-5H
InChIKeyQZAKFHCCLXQZQI-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.83
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole

3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole (PubChem CID 154448516) has the molecular formula C8H5FN2S2 and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole
PubChem CID154448516
Molecular FormulaC8H5FN2S2
Molecular Weight212.27 g/mol
Exact Mass211.99
IUPAC Name3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole
SMILESFc1ccc(Sc2cnsn2)cc1
InChIInChI=1S/C8H5FN2S2/c9-6-1-3-7(4-2-6)12-8-5-10-13-11-8/h1-5H
InChIKeyQZAKFHCCLXQZQI-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole (CID 154448516) is 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole is Fc1ccc(Sc2cnsn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
The InChIKey is QZAKFHCCLXQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2S2/c9-6-1-3-7(4-2-6)12-8-5-10-13-11-8/h1-5H.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole has a molecular weight of 212.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 154448516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).