4,5-dibutylthiadiazole

C10H18N2S — CID 141338087

IUPAC4,5-dibutylthiadiazole
SMILESCCCCc1nnsc1CCCC
InChIInChI=1S/C10H18N2S/c1-3-5-7-9-10(8-6-4-2)13-12-11-9/h3-8H2,1-2H3
InChIKeyPSUCOIKLRPEPEB-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.22
Rot. Bonds6

About 4,5-dibutylthiadiazole

4,5-dibutylthiadiazole (PubChem CID 141338087) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4,5-dibutylthiadiazole.

Molecular Properties

Compound Name4,5-dibutylthiadiazole
PubChem CID141338087
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4,5-dibutylthiadiazole
SMILESCCCCc1nnsc1CCCC
InChIInChI=1S/C10H18N2S/c1-3-5-7-9-10(8-6-4-2)13-12-11-9/h3-8H2,1-2H3
InChIKeyPSUCOIKLRPEPEB-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibutylthiadiazole?
The IUPAC name of 4,5-dibutylthiadiazole (CID 141338087) is 4,5-dibutylthiadiazole.
What is the SMILES notation for 4,5-dibutylthiadiazole?
The canonical SMILES for 4,5-dibutylthiadiazole is CCCCc1nnsc1CCCC.
What is the InChIKey of 4,5-dibutylthiadiazole?
The InChIKey is PSUCOIKLRPEPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-5-7-9-10(8-6-4-2)13-12-11-9/h3-8H2,1-2H3.
What are the key properties of 4,5-dibutylthiadiazole?
4,5-dibutylthiadiazole has a molecular weight of 198.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutylthiadiazole is sourced from PubChem (CID 141338087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).