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

C9H6ClFN2S2 — CID 75360656

IUPAC5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
SMILESFc1cccc(CSc2nsc(Cl)n2)c1
InChIInChI=1S/C9H6ClFN2S2/c10-8-12-9(13-15-8)14-5-6-2-1-3-7(11)4-6/h1-4H,5H2
InChIKeyZSVCGPWTQPAMEH-UHFFFAOYSA-N
MW260.75 g/mol
LogP3.62
Rot. Bonds3

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

5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole (PubChem CID 75360656) has the molecular formula C9H6ClFN2S2 and a molecular weight of 260.75 g/mol. Its IUPAC name is 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
PubChem CID75360656
Molecular FormulaC9H6ClFN2S2
Molecular Weight260.75 g/mol
Exact Mass259.96
IUPAC Name5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
SMILESFc1cccc(CSc2nsc(Cl)n2)c1
InChIInChI=1S/C9H6ClFN2S2/c10-8-12-9(13-15-8)14-5-6-2-1-3-7(11)4-6/h1-4H,5H2
InChIKeyZSVCGPWTQPAMEH-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole (CID 75360656) is 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole is Fc1cccc(CSc2nsc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
The InChIKey is ZSVCGPWTQPAMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S2/c10-8-12-9(13-15-8)14-5-6-2-1-3-7(11)4-6/h1-4H,5H2.
What are the key properties of 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole has a molecular weight of 260.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 75360656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).