3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole

C6H10N2S3 — CID 86020803

IUPAC3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole
SMILESCCSc1nsc(SCC)n1
InChIInChI=1S/C6H10N2S3/c1-3-9-5-7-6(10-4-2)11-8-5/h3-4H2,1-2H3
InChIKeyYWODJQLQPJPOBL-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.76
Rot. Bonds4

About 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole

3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 86020803) has the molecular formula C6H10N2S3 and a molecular weight of 206.36 g/mol. Its IUPAC name is 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole
PubChem CID86020803
Molecular FormulaC6H10N2S3
Molecular Weight206.36 g/mol
Exact Mass206.00
IUPAC Name3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole
SMILESCCSc1nsc(SCC)n1
InChIInChI=1S/C6H10N2S3/c1-3-9-5-7-6(10-4-2)11-8-5/h3-4H2,1-2H3
InChIKeyYWODJQLQPJPOBL-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole (CID 86020803) is 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole is CCSc1nsc(SCC)n1.
What is the InChIKey of 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is YWODJQLQPJPOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S3/c1-3-9-5-7-6(10-4-2)11-8-5/h3-4H2,1-2H3.
What are the key properties of 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole?
3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 206.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 86020803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).