3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole

C9H6ClFN2OS2 — CID 2761344

IUPAC3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
SMILESO=S(Cc1ccccc1F)c1nc(Cl)ns1
InChIInChI=1S/C9H6ClFN2OS2/c10-8-12-9(15-13-8)16(14)5-6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKeyHTIXJYLBQLEPDN-UHFFFAOYSA-N
MW276.75 g/mol
LogP2.64
Rot. Bonds3

About 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole

3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole (PubChem CID 2761344) has the molecular formula C9H6ClFN2OS2 and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
PubChem CID2761344
Molecular FormulaC9H6ClFN2OS2
Molecular Weight276.75 g/mol
Exact Mass275.96
IUPAC Name3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
SMILESO=S(Cc1ccccc1F)c1nc(Cl)ns1
InChIInChI=1S/C9H6ClFN2OS2/c10-8-12-9(15-13-8)16(14)5-6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKeyHTIXJYLBQLEPDN-UHFFFAOYSA-N
XLogP2.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole (CID 2761344) is 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole is O=S(Cc1ccccc1F)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The InChIKey is HTIXJYLBQLEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS2/c10-8-12-9(15-13-8)16(14)5-6-3-1-2-4-7(6)11/h1-4H,5H2.
What are the key properties of 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole has a molecular weight of 276.75 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole is sourced from PubChem (CID 2761344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).