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

C5H8N2O2S2 — CID 130992131

IUPAC3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole
SMILESCCc1nsc(S(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O2S2/c1-3-4-6-5(10-7-4)11(2,8)9/h3H2,1-2H3
InChIKeyWTDDTNQNYKDTLD-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.50
Rot. Bonds2

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

3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole (PubChem CID 130992131) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole
PubChem CID130992131
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Name3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole
SMILESCCc1nsc(S(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O2S2/c1-3-4-6-5(10-7-4)11(2,8)9/h3H2,1-2H3
InChIKeyWTDDTNQNYKDTLD-UHFFFAOYSA-N
XLogP0.50
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole (CID 130992131) is 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole is CCc1nsc(S(C)(=O)=O)n1.
What is the InChIKey of 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole?
The InChIKey is WTDDTNQNYKDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c1-3-4-6-5(10-7-4)11(2,8)9/h3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole?
3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole has a molecular weight of 192.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 130992131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).