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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole

C104H185N9OS12 — CID 158811368

About 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole

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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole (PubChem CID 158811368) has the molecular formula C104H185N9OS12 and a molecular weight of 1962.49 g/mol. Its IUPAC name is 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole.

Molecular Properties

• Compound Name: 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
• PubChem CID: 158811368
• Molecular Formula: C104H185N9OS12
• Molecular Weight: 1962.49 g/mol
• Exact Mass: 1960.14
• IUPAC Name: 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;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)on1.CC(C)(C)CSc1cc(C(C)(C)C)sn1.CC(C)(C)CSc1nc(C(C)(C)C)cs1.CC(C)(C)CSc1ncc(C(C)(C)C)s1.CC(C)(C)CSc1nscc1C(C)(C)C
• InChI: InChI=1S/2C15H27NS.C14H26N2S.C12H21NOS.4C12H21NS2/c1-14(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)8-15-10-7-9(14-13-10)12(4,5)6;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-14-10-13-7-9(15-10)12(4,5)6;1-11(2,3)8-14-10-9(7-15-13-10)12(4,5)6;1-11(2,3)8-14-10-7-9(15-13-10)12(4,5)6/h7H,8-11H2,1-6H3;8H,7,9-11H2,1-6H3;9H,7-8,10H2,1-6H3,(H,15,16);5*7H,8H2,1-6H3
• InChIKey: IUSRIPYGMGAAGR-UHFFFAOYSA-N
• XLogP: 35.97
• TPSA: 130.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.49
LogP ≤ 5	35.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole (CID 158811368) is 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole.

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

The canonical SMILES for 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;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)on1.CC(C)(C)CSc1cc(C(C)(C)C)sn1.CC(C)(C)CSc1nc(C(C)(C)C)cs1.CC(C)(C)CSc1ncc(C(C)(C)C)s1.CC(C)(C)CSc1nscc1C(C)(C)C.

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

The InChIKey is IUSRIPYGMGAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H27NS.C14H26N2S.C12H21NOS.4C12H21NS2/c1-14(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)8-15-10-7-9(14-13-10)12(4,5)6;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-14-10-13-7-9(15-10)12(4,5)6;1-11(2,3)8-14-10-9(7-15-13-10)12(4,5)6;1-11(2,3)8-14-10-7-9(15-13-10)12(4,5)6/h7H,8-11H2,1-6H3;8H,7,9-11H2,1-6H3;9H,7-8,10H2,1-6H3,(H,15,16);5*7H,8H2,1-6H3.

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

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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole has a molecular weight of 1962.49 g/mol, XLogP of 35.97, 22 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole is sourced from PubChem (CID 158811368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).