2-methyl-5-methylsulfinyl-1,3,4-oxadiazole

C4H6N2O2S — CID 22909647

IUPAC2-methyl-5-methylsulfinyl-1,3,4-oxadiazole
SMILESCc1nnc(S(C)=O)o1
InChIInChI=1S/C4H6N2O2S/c1-3-5-6-4(8-3)9(2)7/h1-2H3
InChIKeyAGLPVSSWBIZHME-UHFFFAOYSA-N
MW146.17 g/mol
LogP0.12
Rot. Bonds1

About 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole

2-methyl-5-methylsulfinyl-1,3,4-oxadiazole (PubChem CID 22909647) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-methylsulfinyl-1,3,4-oxadiazole
PubChem CID22909647
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name2-methyl-5-methylsulfinyl-1,3,4-oxadiazole
SMILESCc1nnc(S(C)=O)o1
InChIInChI=1S/C4H6N2O2S/c1-3-5-6-4(8-3)9(2)7/h1-2H3
InChIKeyAGLPVSSWBIZHME-UHFFFAOYSA-N
XLogP0.12
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole (CID 22909647) is 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole is Cc1nnc(S(C)=O)o1.
What is the InChIKey of 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole?
The InChIKey is AGLPVSSWBIZHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c1-3-5-6-4(8-3)9(2)7/h1-2H3.
What are the key properties of 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole?
2-methyl-5-methylsulfinyl-1,3,4-oxadiazole has a molecular weight of 146.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfinyl-1,3,4-oxadiazole is sourced from PubChem (CID 22909647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).