4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole

C116H212N12O4S8 — CID 158791747

About 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole

4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole (PubChem CID 158791747) has the molecular formula C116H212N12O4S8 and a molecular weight of 2095.59 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole
• PubChem CID: 158791747
• Molecular Formula: C116H212N12O4S8
• Molecular Weight: 2095.59 g/mol
• Exact Mass: 2093.45
• IUPAC Name: 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole
• SMILES: CC(C)(C)CSCCc1cc(C(C)(C)C)on1.CC(C)(C)CSCCc1nc(C(C)(C)C)co1.CC(C)(C)CSCCc1ncc(C(C)(C)C)o1.CC(C)(C)CSCCc1nocc1C(C)(C)C.Cn1c(C(C)(C)C)cnc1CCSCC(C)(C)C.Cn1cc(C(C)(C)C)c(CCSCC(C)(C)C)n1.Cn1cc(C(C)(C)C)nc1CCSCC(C)(C)C.Cn1nc(CCSCC(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/4C15H28N2S.4C14H25NOS/c1-14(2,3)11-18-9-8-13-16-12(10-17(13)7)15(4,5)6;1-14(2,3)11-18-9-8-13-16-10-12(17(13)7)15(4,5)6;1-14(2,3)11-18-9-8-13-12(15(4,5)6)10-17(7)16-13;1-14(2,3)11-18-9-8-12-10-13(15(4,5)6)17(7)16-12;1-13(2,3)10-17-8-7-12-15-11(9-16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-15-9-11(16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-11(9-16-15-12)14(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6/h4*10H,8-9,11H2,1-7H3;4*9H,7-8,10H2,1-6H3
• InChIKey: ISJBHNXUHNOMTB-UHFFFAOYSA-N
• XLogP: 33.33
• TPSA: 175.40 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.59
LogP ≤ 5	33.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole?

The IUPAC name of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole (CID 158791747) is 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole.

What is the SMILES notation for 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole?

The canonical SMILES for 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole is CC(C)(C)CSCCc1cc(C(C)(C)C)on1.CC(C)(C)CSCCc1nc(C(C)(C)C)co1.CC(C)(C)CSCCc1ncc(C(C)(C)C)o1.CC(C)(C)CSCCc1nocc1C(C)(C)C.Cn1c(C(C)(C)C)cnc1CCSCC(C)(C)C.Cn1cc(C(C)(C)C)c(CCSCC(C)(C)C)n1.Cn1cc(C(C)(C)C)nc1CCSCC(C)(C)C.Cn1nc(CCSCC(C)(C)C)cc1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole?

The InChIKey is ISJBHNXUHNOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H28N2S.4C14H25NOS/c1-14(2,3)11-18-9-8-13-16-12(10-17(13)7)15(4,5)6;1-14(2,3)11-18-9-8-13-16-10-12(17(13)7)15(4,5)6;1-14(2,3)11-18-9-8-13-12(15(4,5)6)10-17(7)16-13;1-14(2,3)11-18-9-8-12-10-13(15(4,5)6)17(7)16-12;1-13(2,3)10-17-8-7-12-15-11(9-16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-15-9-11(16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-11(9-16-15-12)14(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6/h4*10H,8-9,11H2,1-7H3;4*9H,7-8,10H2,1-6H3.

What are the key properties of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole?

4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole has a molecular weight of 2095.59 g/mol, XLogP of 33.33, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole is sourced from PubChem (CID 158791747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).