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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole

C101H185N11S8 — CID 158230200

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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-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;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole (PubChem CID 158230200) has the molecular formula C101H185N11S8 and a molecular weight of 1810.20 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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-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;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
• PubChem CID: 158230200
• Molecular Formula: C101H185N11S8
• Molecular Weight: 1810.20 g/mol
• Exact Mass: 1808.26
• 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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
• SMILES: CC(C)(C)CSCCC1=NC(C(C)(C)C)=CC1.CC(C)(C)CSCCC1=NCC=C1C(C)(C)C.CC(C)(C)CSCCc1cc(C(C)(C)C)n[nH]1.CC(C)(C)CSc1cc(C(C)(C)C)sn1.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
• InChI: InChI=1S/3C15H28N2S.2C15H27NS.C14H26N2S.C12H21NS2/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)11-17-10-8-13-12(7-9-16-13)15(4,5)6;1-14(2,3)11-17-10-9-12-7-8-13(16-12)15(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6;1-11(2,3)8-14-10-7-9(15-13-10)12(4,5)6/h3*10H,8-9,11H2,1-7H3;7H,8-11H2,1-6H3;8H,7,9-11H2,1-6H3;9H,7-8,10H2,1-6H3,(H,15,16);7H,8H2,1-6H3
• InChIKey: GEHBXSSBYCELIY-UHFFFAOYSA-N
• XLogP: 30.24
• TPSA: 119.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.20
LogP ≤ 5	30.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-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;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole (CID 158230200) 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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-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;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-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;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole is CC(C)(C)CSCCC1=NC(C(C)(C)C)=CC1.CC(C)(C)CSCCC1=NCC=C1C(C)(C)C.CC(C)(C)CSCCc1cc(C(C)(C)C)n[nH]1.CC(C)(C)CSc1cc(C(C)(C)C)sn1.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.

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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole?

The InChIKey is GEHBXSSBYCELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H28N2S.2C15H27NS.C14H26N2S.C12H21NS2/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)11-17-10-8-13-12(7-9-16-13)15(4,5)6;1-14(2,3)11-17-10-9-12-7-8-13(16-12)15(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6;1-11(2,3)8-14-10-7-9(15-13-10)12(4,5)6/h3*10H,8-9,11H2,1-7H3;7H,8-11H2,1-6H3;8H,7,9-11H2,1-6H3;9H,7-8,10H2,1-6H3,(H,15,16);7H,8H2,1-6H3.

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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-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;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole has a molecular weight of 1810.20 g/mol, XLogP of 30.24, 26 rotatable bonds, 1 hydrogen bond donors, and 18 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;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole is sourced from PubChem (CID 158230200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).