3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole

C5H8N2O2S2 — CID 69436140

IUPAC3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CS(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O2S2/c1-4-6-5(10-7-4)3-11(2,8)9/h3H2,1-2H3
InChIKeyFLHCIICSHVMMOH-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.39
Rot. Bonds2

About 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole

3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole (PubChem CID 69436140) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole
PubChem CID69436140
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Name3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CS(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O2S2/c1-4-6-5(10-7-4)3-11(2,8)9/h3H2,1-2H3
InChIKeyFLHCIICSHVMMOH-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Ethylsulfonylmethyl)-3-methyl-1,2,4-thiadiazole
CID 21031012
3-Methyl-5-(tritiosulfonylmethyl)-1,2,4-thiadiazole
CID 58665798
5-Methyl-3-methylsulfonyl-1,2,4-thiadiazole
CID 59109663
5-(Methanesulfonyl)-3-[(methanesulfonyl)methyl]-1,2,4-thiadiazole
CID 69775104
Hydroxy-methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-oxo-lambda6-sulfane
CID 91359176
3-Ethyl-5-ethylsulfonyl-1,2,4-thiadiazole
CID 126996216
3-Methyl-5-(methylsulfanylmethyl)-1,2,4-thiadiazole
CID 142565941
3-Methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole
CID 142565991
3-Methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole
CID 142565992
5-Methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
CID 142566038
5-Methyl-3-(2-methylsulfinylethyl)-1,2,4-thiadiazole
CID 142566068
5-Methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole
CID 142566170

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole (CID 69436140) is 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole is Cc1nsc(CS(C)(=O)=O)n1.
What is the InChIKey of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole?
The InChIKey is FLHCIICSHVMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c1-4-6-5(10-7-4)3-11(2,8)9/h3H2,1-2H3.
What are the key properties of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole?
3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole has a molecular weight of 192.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 69436140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).