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

C8H4ClFN2S2 — CID 43808351

IUPAC3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole
SMILESFc1ccccc1Sc1nsnc1Cl
InChIInChI=1S/C8H4ClFN2S2/c9-7-8(12-14-11-7)13-6-4-2-1-3-5(6)10/h1-4H
InChIKeyPZCZCXGXWINISC-UHFFFAOYSA-N
MW246.72 g/mol
LogP3.48
Rot. Bonds2

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

3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole (PubChem CID 43808351) has the molecular formula C8H4ClFN2S2 and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole
PubChem CID43808351
Molecular FormulaC8H4ClFN2S2
Molecular Weight246.72 g/mol
Exact Mass245.95
IUPAC Name3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole
SMILESFc1ccccc1Sc1nsnc1Cl
InChIInChI=1S/C8H4ClFN2S2/c9-7-8(12-14-11-7)13-6-4-2-1-3-5(6)10/h1-4H
InChIKeyPZCZCXGXWINISC-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole (CID 43808351) is 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole is Fc1ccccc1Sc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
The InChIKey is PZCZCXGXWINISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S2/c9-7-8(12-14-11-7)13-6-4-2-1-3-5(6)10/h1-4H.
What are the key properties of 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole?
3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole has a molecular weight of 246.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 43808351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).