3-butyl-1,2,4-thiadiazole

C6H10N2S — CID 54453274

IUPAC3-butyl-1,2,4-thiadiazole
SMILESCCCCc1ncsn1
InChIInChI=1S/C6H10N2S/c1-2-3-4-6-7-5-9-8-6/h5H,2-4H2,1H3
InChIKeyIZVFQRXAGGWEJA-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.88
Rot. Bonds3

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

3-butyl-1,2,4-thiadiazole (PubChem CID 54453274) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-butyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-butyl-1,2,4-thiadiazole
PubChem CID54453274
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3-butyl-1,2,4-thiadiazole
SMILESCCCCc1ncsn1
InChIInChI=1S/C6H10N2S/c1-2-3-4-6-7-5-9-8-6/h5H,2-4H2,1H3
InChIKeyIZVFQRXAGGWEJA-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,4-thiadiazole?
The IUPAC name of 3-butyl-1,2,4-thiadiazole (CID 54453274) is 3-butyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-butyl-1,2,4-thiadiazole?
The canonical SMILES for 3-butyl-1,2,4-thiadiazole is CCCCc1ncsn1.
What is the InChIKey of 3-butyl-1,2,4-thiadiazole?
The InChIKey is IZVFQRXAGGWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-3-4-6-7-5-9-8-6/h5H,2-4H2,1H3.
What are the key properties of 3-butyl-1,2,4-thiadiazole?
3-butyl-1,2,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,4-thiadiazole is sourced from PubChem (CID 54453274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).