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

C130H238N13O4S10+ — CID 157117008

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

4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole (PubChem CID 157117008) has the molecular formula C130H238N13O4S10+ and a molecular weight of 2368.09 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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole.

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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole
• PubChem CID: 157117008
• Molecular Formula: C130H238N13O4S10+
• Molecular Weight: 2368.09 g/mol
• Exact Mass: 2365.60
• IUPAC Name: 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole
• 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.CC(C)(C)CSCCc1nscc1C(C)(C)C.C[n+]1cc(C(C)(C)C)cn1CCSCC(C)(C)C.Cn1c(C(C)(C)C)cnc1CCSCC(C)(C)C.Cn1cc(C(C)(C)C)nc1CCSCC(C)(C)C.Cn1nc(CCSCC(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C15H29N2S.3C15H28N2S.4C14H25NOS.C14H25NS2/c1-14(2,3)12-18-9-8-17-11-13(10-16(17)7)15(4,5)6;1-14(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)11-18-9-8-12-10-13(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;1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h10-11H,8-9,12H2,1-7H3;3*10H,8-9,11H2,1-7H3;5*9H,7-8,10H2,1-6H3/q+1
• InChIKey: NLJAAZAKZPQMAE-UHFFFAOYSA-N
• XLogP: 37.45
• TPSA: 179.28 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.09
LogP ≤ 5	37.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole?

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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole (CID 157117008) is 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole.

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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole?

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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole 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.CC(C)(C)CSCCc1nscc1C(C)(C)C.C[n+]1cc(C(C)(C)C)cn1CCSCC(C)(C)C.Cn1c(C(C)(C)C)cnc1CCSCC(C)(C)C.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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole?

The InChIKey is NLJAAZAKZPQMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2S.3C15H28N2S.4C14H25NOS.C14H25NS2/c1-14(2,3)12-18-9-8-17-11-13(10-16(17)7)15(4,5)6;1-14(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)11-18-9-8-12-10-13(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;1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h10-11H,8-9,12H2,1-7H3;3*10H,8-9,11H2,1-7H3;5*9H,7-8,10H2,1-6H3/q+1;;;;;;;;.

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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole?

4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole has a molecular weight of 2368.09 g/mol, XLogP of 37.45, 36 rotatable bonds, 0 hydrogen bond donors, and 26 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;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;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-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole is sourced from PubChem (CID 157117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).