5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole

C5H8N2S3 — CID 91242080

IUPAC5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole
SMILESCCc1nc(SSC)ns1
InChIInChI=1S/C5H8N2S3/c1-3-4-6-5(7-9-4)10-8-2/h3H2,1-2H3
InChIKeyCPTYCKCGGUMZCU-UHFFFAOYSA-N
MW192.33 g/mol
LogP2.47
Rot. Bonds3

About 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole

5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole (PubChem CID 91242080) has the molecular formula C5H8N2S3 and a molecular weight of 192.33 g/mol. Its IUPAC name is 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole
PubChem CID91242080
Molecular FormulaC5H8N2S3
Molecular Weight192.33 g/mol
Exact Mass191.98
IUPAC Name5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole
SMILESCCc1nc(SSC)ns1
InChIInChI=1S/C5H8N2S3/c1-3-4-6-5(7-9-4)10-8-2/h3H2,1-2H3
InChIKeyCPTYCKCGGUMZCU-UHFFFAOYSA-N
XLogP2.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole (CID 91242080) is 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole is CCc1nc(SSC)ns1.
What is the InChIKey of 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole?
The InChIKey is CPTYCKCGGUMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S3/c1-3-4-6-5(7-9-4)10-8-2/h3H2,1-2H3.
What are the key properties of 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole?
5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole has a molecular weight of 192.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(methyldisulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 91242080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).