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

C4H6N2OS2 — CID 163450332

IUPAC3-methyl-5-methylsulfinyl-1,2,4-thiadiazole
SMILESCc1nsc(S(C)=O)n1
InChIInChI=1S/C4H6N2OS2/c1-3-5-4(8-6-3)9(2)7/h1-2H3
InChIKeyWYCDUKBVHKINIE-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.58
Rot. Bonds1

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

3-methyl-5-methylsulfinyl-1,2,4-thiadiazole (PubChem CID 163450332) has the molecular formula C4H6N2OS2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-methylsulfinyl-1,2,4-thiadiazole
PubChem CID163450332
Molecular FormulaC4H6N2OS2
Molecular Weight162.24 g/mol
Exact Mass161.99
IUPAC Name3-methyl-5-methylsulfinyl-1,2,4-thiadiazole
SMILESCc1nsc(S(C)=O)n1
InChIInChI=1S/C4H6N2OS2/c1-3-5-4(8-6-3)9(2)7/h1-2H3
InChIKeyWYCDUKBVHKINIE-UHFFFAOYSA-N
XLogP0.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole (CID 163450332) is 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole is Cc1nsc(S(C)=O)n1.
What is the InChIKey of 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole?
The InChIKey is WYCDUKBVHKINIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS2/c1-3-5-4(8-6-3)9(2)7/h1-2H3.
What are the key properties of 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole?
3-methyl-5-methylsulfinyl-1,2,4-thiadiazole has a molecular weight of 162.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfinyl-1,2,4-thiadiazole is sourced from PubChem (CID 163450332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).