5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole

C5H6N2O2S2 — CID 65273384

IUPAC5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole
SMILESC=CS(=O)(=O)c1nc(C)ns1
InChIInChI=1S/C5H6N2O2S2/c1-3-11(8,9)5-6-4(2)7-10-5/h3H,1H2,2H3
InChIKeyRMXUXHNCABBSIB-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.76
Rot. Bonds2

About 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole

5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole (PubChem CID 65273384) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole
PubChem CID65273384
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole
SMILESC=CS(=O)(=O)c1nc(C)ns1
InChIInChI=1S/C5H6N2O2S2/c1-3-11(8,9)5-6-4(2)7-10-5/h3H,1H2,2H3
InChIKeyRMXUXHNCABBSIB-UHFFFAOYSA-N
XLogP0.76
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole (CID 65273384) is 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole is C=CS(=O)(=O)c1nc(C)ns1.
What is the InChIKey of 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole?
The InChIKey is RMXUXHNCABBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-3-11(8,9)5-6-4(2)7-10-5/h3H,1H2,2H3.
What are the key properties of 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole?
5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole has a molecular weight of 190.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonyl-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 65273384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).