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

C8H14N2O2S2 — CID 154128700

IUPAC3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole
SMILESCCCCc1nsc(S(=O)(=O)CC)n1
InChIInChI=1S/C8H14N2O2S2/c1-3-5-6-7-9-8(13-10-7)14(11,12)4-2/h3-6H2,1-2H3
InChIKeyBVSNYLTVILALPQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.67
Rot. Bonds5

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

3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole (PubChem CID 154128700) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole
PubChem CID154128700
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole
SMILESCCCCc1nsc(S(=O)(=O)CC)n1
InChIInChI=1S/C8H14N2O2S2/c1-3-5-6-7-9-8(13-10-7)14(11,12)4-2/h3-6H2,1-2H3
InChIKeyBVSNYLTVILALPQ-UHFFFAOYSA-N
XLogP1.67
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole (CID 154128700) is 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole is CCCCc1nsc(S(=O)(=O)CC)n1.
What is the InChIKey of 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole?
The InChIKey is BVSNYLTVILALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-3-5-6-7-9-8(13-10-7)14(11,12)4-2/h3-6H2,1-2H3.
What are the key properties of 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole?
3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole has a molecular weight of 234.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-ethylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 154128700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).