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

C3H3BrN2O2S2 — CID 83899607

IUPAC5-bromo-3-methylsulfonyl-1,2,4-thiadiazole
SMILESCS(=O)(=O)c1nsc(Br)n1
InChIInChI=1S/C3H3BrN2O2S2/c1-10(7,8)3-5-2(4)9-6-3/h1H3
InChIKeyQTQGHORJQMRCAA-UHFFFAOYSA-N
MW243.11 g/mol
LogP0.70
Rot. Bonds1

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

5-bromo-3-methylsulfonyl-1,2,4-thiadiazole (PubChem CID 83899607) has the molecular formula C3H3BrN2O2S2 and a molecular weight of 243.11 g/mol. Its IUPAC name is 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-methylsulfonyl-1,2,4-thiadiazole
PubChem CID83899607
Molecular FormulaC3H3BrN2O2S2
Molecular Weight243.11 g/mol
Exact Mass241.88
IUPAC Name5-bromo-3-methylsulfonyl-1,2,4-thiadiazole
SMILESCS(=O)(=O)c1nsc(Br)n1
InChIInChI=1S/C3H3BrN2O2S2/c1-10(7,8)3-5-2(4)9-6-3/h1H3
InChIKeyQTQGHORJQMRCAA-UHFFFAOYSA-N
XLogP0.70
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole (CID 83899607) is 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole is CS(=O)(=O)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole?
The InChIKey is QTQGHORJQMRCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2O2S2/c1-10(7,8)3-5-2(4)9-6-3/h1H3.
What are the key properties of 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole?
5-bromo-3-methylsulfonyl-1,2,4-thiadiazole has a molecular weight of 243.11 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 83899607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).