2-butylsulfinyl-1,3,4-thiadiazole

C6H10N2OS2 — CID 21163788

IUPAC2-butylsulfinyl-1,3,4-thiadiazole
SMILESCCCCS(=O)c1nncs1
InChIInChI=1S/C6H10N2OS2/c1-2-3-4-11(9)6-8-7-5-10-6/h5H,2-4H2,1H3
InChIKeyDJJCYOYLXJYHLY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.45
Rot. Bonds4

About 2-butylsulfinyl-1,3,4-thiadiazole

2-butylsulfinyl-1,3,4-thiadiazole (PubChem CID 21163788) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-butylsulfinyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-butylsulfinyl-1,3,4-thiadiazole
PubChem CID21163788
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-butylsulfinyl-1,3,4-thiadiazole
SMILESCCCCS(=O)c1nncs1
InChIInChI=1S/C6H10N2OS2/c1-2-3-4-11(9)6-8-7-5-10-6/h5H,2-4H2,1H3
InChIKeyDJJCYOYLXJYHLY-UHFFFAOYSA-N
XLogP1.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-1,3,4-thiadiazole?
The IUPAC name of 2-butylsulfinyl-1,3,4-thiadiazole (CID 21163788) is 2-butylsulfinyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-butylsulfinyl-1,3,4-thiadiazole?
The canonical SMILES for 2-butylsulfinyl-1,3,4-thiadiazole is CCCCS(=O)c1nncs1.
What is the InChIKey of 2-butylsulfinyl-1,3,4-thiadiazole?
The InChIKey is DJJCYOYLXJYHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-2-3-4-11(9)6-8-7-5-10-6/h5H,2-4H2,1H3.
What are the key properties of 2-butylsulfinyl-1,3,4-thiadiazole?
2-butylsulfinyl-1,3,4-thiadiazole has a molecular weight of 190.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-1,3,4-thiadiazole is sourced from PubChem (CID 21163788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).