5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole

C8H14N2S2 — CID 130614845

IUPAC5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(SC(C)(C)C)n1
InChIInChI=1S/C8H14N2S2/c1-5-6-9-7(12-10-6)11-8(2,3)4/h5H2,1-4H3
InChIKeyICAWHOKHXBHHNF-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.99
Rot. Bonds2

About 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole

5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole (PubChem CID 130614845) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole
PubChem CID130614845
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Name5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(SC(C)(C)C)n1
InChIInChI=1S/C8H14N2S2/c1-5-6-9-7(12-10-6)11-8(2,3)4/h5H2,1-4H3
InChIKeyICAWHOKHXBHHNF-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole (CID 130614845) is 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole is CCc1nsc(SC(C)(C)C)n1.
What is the InChIKey of 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole?
The InChIKey is ICAWHOKHXBHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-5-6-9-7(12-10-6)11-8(2,3)4/h5H2,1-4H3.
What are the key properties of 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole?
5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole has a molecular weight of 202.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 130614845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).