5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde

C9H5FN2OS2 — CID 63802367

IUPAC5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1Sc1nncs1
InChIInChI=1S/C9H5FN2OS2/c10-7-1-2-8(6(3-7)4-13)15-9-12-11-5-14-9/h1-5H
InChIKeyFQMONACJHLSIIT-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.64
Rot. Bonds3

About 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde

5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde (PubChem CID 63802367) has the molecular formula C9H5FN2OS2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
PubChem CID63802367
Molecular FormulaC9H5FN2OS2
Molecular Weight240.28 g/mol
Exact Mass239.98
IUPAC Name5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1Sc1nncs1
InChIInChI=1S/C9H5FN2OS2/c10-7-1-2-8(6(3-7)4-13)15-9-12-11-5-14-9/h1-5H
InChIKeyFQMONACJHLSIIT-UHFFFAOYSA-N
XLogP2.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde (CID 63802367) is 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde is O=Cc1cc(F)ccc1Sc1nncs1.
What is the InChIKey of 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde?
The InChIKey is FQMONACJHLSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2OS2/c10-7-1-2-8(6(3-7)4-13)15-9-12-11-5-14-9/h1-5H.
What are the key properties of 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde?
5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde has a molecular weight of 240.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde is sourced from PubChem (CID 63802367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).