4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole

C101H182N12O3S8 — CID 157453524

About 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole

4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole (PubChem CID 157453524) has the molecular formula C101H182N12O3S8 and a molecular weight of 1869.18 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole
• PubChem CID: 157453524
• Molecular Formula: C101H182N12O3S8
• Molecular Weight: 1869.18 g/mol
• Exact Mass: 1867.22
• IUPAC Name: 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole
• SMILES: CC(C)(C)CSC1=NC(C(C)(C)C)=CC1.CC(C)(C)CSc1nc(C(C)(C)C)co1.CC(C)(C)CSc1ncc(C(C)(C)C)o1.CC(C)(C)CSc1nocc1C(C)(C)C.Cn1c(C(C)(C)C)cnc1SCC(C)(C)C.Cn1cc(C(C)(C)C)c(SCC(C)(C)C)n1.Cn1cc(C(C)(C)C)nc1SCC(C)(C)C.Cn1nc(SCC(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/4C13H24N2S.C13H23NS.3C12H21NOS/c1-12(2,3)9-16-11-14-10(8-15(11)7)13(4,5)6;1-12(2,3)9-16-11-14-8-10(15(11)7)13(4,5)6;1-12(2,3)9-16-11-10(13(4,5)6)8-15(7)14-11;1-12(2,3)9-16-11-8-10(13(4,5)6)15(7)14-11;1-12(2,3)9-15-11-8-7-10(14-11)13(4,5)6;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-15-10-13-7-9(14-10)12(4,5)6;1-11(2,3)8-15-10-9(7-14-13-10)12(4,5)6/h4*8H,9H2,1-7H3;7H,8-9H2,1-6H3;3*7H,8H2,1-6H3
• InChIKey: BTBPKXQMGVYYKA-UHFFFAOYSA-N
• XLogP: 32.25
• TPSA: 161.73 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.18
LogP ≤ 5	32.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole (CID 157453524) is 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole.

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

The canonical SMILES for 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole is CC(C)(C)CSC1=NC(C(C)(C)C)=CC1.CC(C)(C)CSc1nc(C(C)(C)C)co1.CC(C)(C)CSc1ncc(C(C)(C)C)o1.CC(C)(C)CSc1nocc1C(C)(C)C.Cn1c(C(C)(C)C)cnc1SCC(C)(C)C.Cn1cc(C(C)(C)C)c(SCC(C)(C)C)n1.Cn1cc(C(C)(C)C)nc1SCC(C)(C)C.Cn1nc(SCC(C)(C)C)cc1C(C)(C)C.

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

The InChIKey is BTBPKXQMGVYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H24N2S.C13H23NS.3C12H21NOS/c1-12(2,3)9-16-11-14-10(8-15(11)7)13(4,5)6;1-12(2,3)9-16-11-14-8-10(15(11)7)13(4,5)6;1-12(2,3)9-16-11-10(13(4,5)6)8-15(7)14-11;1-12(2,3)9-16-11-8-10(13(4,5)6)15(7)14-11;1-12(2,3)9-15-11-8-7-10(14-11)13(4,5)6;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-15-10-13-7-9(14-10)12(4,5)6;1-11(2,3)8-15-10-9(7-14-13-10)12(4,5)6/h4*8H,9H2,1-7H3;7H,8-9H2,1-6H3;3*7H,8H2,1-6H3.

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

4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole has a molecular weight of 1869.18 g/mol, XLogP of 32.25, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole is sourced from PubChem (CID 157453524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).