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

C9H6ClFN2S2 — CID 80607063

IUPAC2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
SMILESFc1ccccc1SCc1nnc(Cl)s1
InChIInChI=1S/C9H6ClFN2S2/c10-9-13-12-8(15-9)5-14-7-4-2-1-3-6(7)11/h1-4H,5H2
InChIKeyBBDONKAZTYWLGS-UHFFFAOYSA-N
MW260.75 g/mol
LogP3.62
Rot. Bonds3

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

2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole (PubChem CID 80607063) has the molecular formula C9H6ClFN2S2 and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
PubChem CID80607063
Molecular FormulaC9H6ClFN2S2
Molecular Weight260.75 g/mol
Exact Mass259.96
IUPAC Name2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
SMILESFc1ccccc1SCc1nnc(Cl)s1
InChIInChI=1S/C9H6ClFN2S2/c10-9-13-12-8(15-9)5-14-7-4-2-1-3-6(7)11/h1-4H,5H2
InChIKeyBBDONKAZTYWLGS-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 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole (CID 80607063) is 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole is Fc1ccccc1SCc1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole?
The InChIKey is BBDONKAZTYWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S2/c10-9-13-12-8(15-9)5-14-7-4-2-1-3-6(7)11/h1-4H,5H2.
What are the key properties of 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole?
2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-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 2-chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).