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

C5H8N2OS2 — CID 142565991

IUPAC3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CS(C)=O)n1
InChIInChI=1S/C5H8N2OS2/c1-4-6-5(9-7-4)3-10(2)8/h3H2,1-2H3
InChIKeyYKRUGUZMLJHBEJ-UHFFFAOYSA-N
MW176.27 g/mol
LogP0.73
Rot. Bonds2

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

3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole (PubChem CID 142565991) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole
PubChem CID142565991
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CS(C)=O)n1
InChIInChI=1S/C5H8N2OS2/c1-4-6-5(9-7-4)3-10(2)8/h3H2,1-2H3
InChIKeyYKRUGUZMLJHBEJ-UHFFFAOYSA-N
XLogP0.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole (CID 142565991) is 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole is Cc1nsc(CS(C)=O)n1.
What is the InChIKey of 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole?
The InChIKey is YKRUGUZMLJHBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c1-4-6-5(9-7-4)3-10(2)8/h3H2,1-2H3.
What are the key properties of 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole?
3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole has a molecular weight of 176.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 142565991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).