2-butan-2-ylsulfinyl-1,3,4-thiadiazole

C6H10N2OS2 — CID 21163818

IUPAC2-butan-2-ylsulfinyl-1,3,4-thiadiazole
SMILESCCC(C)S(=O)c1nncs1
InChIInChI=1S/C6H10N2OS2/c1-3-5(2)11(9)6-8-7-4-10-6/h4-5H,3H2,1-2H3
InChIKeyGHIQLQJFHOWOGL-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.44
Rot. Bonds3

About 2-butan-2-ylsulfinyl-1,3,4-thiadiazole

2-butan-2-ylsulfinyl-1,3,4-thiadiazole (PubChem CID 21163818) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-1,3,4-thiadiazole
PubChem CID21163818
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-butan-2-ylsulfinyl-1,3,4-thiadiazole
SMILESCCC(C)S(=O)c1nncs1
InChIInChI=1S/C6H10N2OS2/c1-3-5(2)11(9)6-8-7-4-10-6/h4-5H,3H2,1-2H3
InChIKeyGHIQLQJFHOWOGL-UHFFFAOYSA-N
XLogP1.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-1,3,4-thiadiazole?
The IUPAC name of 2-butan-2-ylsulfinyl-1,3,4-thiadiazole (CID 21163818) is 2-butan-2-ylsulfinyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-butan-2-ylsulfinyl-1,3,4-thiadiazole?
The canonical SMILES for 2-butan-2-ylsulfinyl-1,3,4-thiadiazole is CCC(C)S(=O)c1nncs1.
What is the InChIKey of 2-butan-2-ylsulfinyl-1,3,4-thiadiazole?
The InChIKey is GHIQLQJFHOWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-3-5(2)11(9)6-8-7-4-10-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfinyl-1,3,4-thiadiazole?
2-butan-2-ylsulfinyl-1,3,4-thiadiazole has a molecular weight of 190.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-1,3,4-thiadiazole is sourced from PubChem (CID 21163818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).