5-(disulfanyl)-1,2,4-thiadiazole

C2H2N2S3 — CID 146214497

IUPAC5-(disulfanyl)-1,2,4-thiadiazole
SMILESSSc1ncns1
InChIInChI=1S/C2H2N2S3/c5-7-2-3-1-4-6-2/h1,5H
InChIKeyAPQWCEMXHROIJE-UHFFFAOYSA-N
MW150.25 g/mol
LogP1.48
Rot. Bonds1

About 5-(disulfanyl)-1,2,4-thiadiazole

5-(disulfanyl)-1,2,4-thiadiazole (PubChem CID 146214497) has the molecular formula C2H2N2S3 and a molecular weight of 150.25 g/mol. Its IUPAC name is 5-(disulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(disulfanyl)-1,2,4-thiadiazole
PubChem CID146214497
Molecular FormulaC2H2N2S3
Molecular Weight150.25 g/mol
Exact Mass149.94
IUPAC Name5-(disulfanyl)-1,2,4-thiadiazole
SMILESSSc1ncns1
InChIInChI=1S/C2H2N2S3/c5-7-2-3-1-4-6-2/h1,5H
InChIKeyAPQWCEMXHROIJE-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(disulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(disulfanyl)-1,2,4-thiadiazole (CID 146214497) is 5-(disulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(disulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(disulfanyl)-1,2,4-thiadiazole is SSc1ncns1.
What is the InChIKey of 5-(disulfanyl)-1,2,4-thiadiazole?
The InChIKey is APQWCEMXHROIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S3/c5-7-2-3-1-4-6-2/h1,5H.
What are the key properties of 5-(disulfanyl)-1,2,4-thiadiazole?
5-(disulfanyl)-1,2,4-thiadiazole has a molecular weight of 150.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(disulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 146214497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).