2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

C170H262Cl2N6S12 — CID 161231995

About 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (PubChem CID 161231995) has the molecular formula C170H262Cl2N6S12 and a molecular weight of 2845.72 g/mol. Its IUPAC name is 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

Molecular Properties

• Compound Name: 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
• PubChem CID: 161231995
• Molecular Formula: C170H262Cl2N6S12
• Molecular Weight: 2845.72 g/mol
• Exact Mass: 2841.67
• IUPAC Name: 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
• SMILES: C=CCc1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1ccc(C2CC2)cc1.CC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1cscn1.CC(C)(C)Cc1cscn1.CC(c1ccsc1)C(C)(C)C.CC(c1csc(Cl)c1)C(C)(C)C.Cc1cc(C(C)C(C)(C)C)cs1.Cc1ccc(CC(C)(C)C)s1.Cc1ccsc1CC(C)(C)C.Cc1csc(CC(C)(C)C)c1
• InChI: InChI=1S/2C14H20.C11H18S.C10H15ClS.3C10H15N.4C10H16S.C9H13ClS.2C9H14S.3C8H13NS/c1-14(2,3)10-11-4-6-12(7-5-11)13-8-9-13;1-5-6-12-7-9-13(10-8-12)11-14(2,3)4;1-8-6-10(7-12-8)9(2)11(3,4)5;1-7(10(2,3)4)8-5-9(11)12-6-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8-5-9(11-7-8)6-10(2,3)4;1-8(10(2,3)4)9-5-6-11-7-9;1-8-5-6-11-9(8)7-10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;2*1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)4-7-5-9-6-10-7/h4-7,13H,8-10H2,1-3H3;5,7-10H,1,6,11H2,2-4H3;6-7,9H,1-5H3;5-7H,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5,7H,6H2,1-4H3;5-8H,1-4H3;2*5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;3*5-6H,4H2,1-3H3
• InChIKey: UYWIJYFJJPKOCT-UHFFFAOYSA-N
• XLogP: 58.62
• TPSA: 77.34 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2845.72
LogP ≤ 5	58.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

The IUPAC name of 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (CID 161231995) is 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

What is the SMILES notation for 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

The canonical SMILES for 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is C=CCc1ccc(CC(C)(C)C)cc1.CC(C)(C)Cc1ccc(C2CC2)cc1.CC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1cscn1.CC(C)(C)Cc1cscn1.CC(c1ccsc1)C(C)(C)C.CC(c1csc(Cl)c1)C(C)(C)C.Cc1cc(C(C)C(C)(C)C)cs1.Cc1ccc(CC(C)(C)C)s1.Cc1ccsc1CC(C)(C)C.Cc1csc(CC(C)(C)C)c1.

What is the InChIKey of 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

The InChIKey is UYWIJYFJJPKOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H20.C11H18S.C10H15ClS.3C10H15N.4C10H16S.C9H13ClS.2C9H14S.3C8H13NS/c1-14(2,3)10-11-4-6-12(7-5-11)13-8-9-13;1-5-6-12-7-9-13(10-8-12)11-14(2,3)4;1-8-6-10(7-12-8)9(2)11(3,4)5;1-7(10(2,3)4)8-5-9(11)12-6-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8-5-9(11-7-8)6-10(2,3)4;1-8(10(2,3)4)9-5-6-11-7-9;1-8-5-6-11-9(8)7-10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;2*1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)4-7-5-9-6-10-7/h4-7,13H,8-10H2,1-3H3;5,7-10H,1,6,11H2,2-4H3;6-7,9H,1-5H3;5-7H,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5,7H,6H2,1-4H3;5-8H,1-4H3;2*5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;3*5-6H,4H2,1-3H3.

What are the key properties of 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene has a molecular weight of 2845.72 g/mol, XLogP of 58.62, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(3,3-dimethylbutan-2-yl)thiophene;2-chloro-5-(2,2-dimethylpropyl)thiophene;1-cyclopropyl-4-(2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutan-2-yl)-2-methylthiophene;3-(3,3-dimethylbutan-2-yl)thiophene;2-(2,2-dimethylpropyl)-3-methylthiophene;2-(2,2-dimethylpropyl)-4-methylthiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;1-(2,2-dimethylpropyl)-4-prop-2-enylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)-1,3-thiazole);5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 161231995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).