3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole

C6H10N2O2S2 — CID 126996216

IUPAC3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole
SMILESCCc1nsc(S(=O)(=O)CC)n1
InChIInChI=1S/C6H10N2O2S2/c1-3-5-7-6(11-8-5)12(9,10)4-2/h3-4H2,1-2H3
InChIKeyCRQJJWFMWNBJDJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.89
Rot. Bonds3

About 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole

3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole (PubChem CID 126996216) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole
PubChem CID126996216
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole
SMILESCCc1nsc(S(=O)(=O)CC)n1
InChIInChI=1S/C6H10N2O2S2/c1-3-5-7-6(11-8-5)12(9,10)4-2/h3-4H2,1-2H3
InChIKeyCRQJJWFMWNBJDJ-UHFFFAOYSA-N
XLogP0.89
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole (CID 126996216) is 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole is CCc1nsc(S(=O)(=O)CC)n1.
What is the InChIKey of 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole?
The InChIKey is CRQJJWFMWNBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-3-5-7-6(11-8-5)12(9,10)4-2/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole?
3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole has a molecular weight of 206.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-ethylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 126996216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).