2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C100H133ClF2N8S7 — CID 167563197

About 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 167563197) has the molecular formula C100H133ClF2N8S7 and a molecular weight of 1745.14 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 167563197
• Molecular Formula: C100H133ClF2N8S7
• Molecular Weight: 1745.14 g/mol
• Exact Mass: 1742.84
• IUPAC Name: 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)s1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.Cc1ccc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)s1.[C-]#[N+]c1cccc(C(C)C)c1
• InChI: InChI=1S/C10H11N.C9H11F.C9H12.C8H9NS.2C8H11N.C8H12S.C7H9ClS.C7H9FS.C7H10N2.C7H10S.2C6H9NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8(9-3)10-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7(8)9-6;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h4-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
• InChIKey: DXXAXVOCCLWOBS-UHFFFAOYSA-N
• XLogP: 35.67
• TPSA: 86.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.14
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The IUPAC name of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 167563197) is 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)s1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.Cc1ccc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)s1.[C-]#[N+]c1cccc(C(C)C)c1.

What is the InChIKey of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The InChIKey is DXXAXVOCCLWOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H11F.C9H12.C8H9NS.2C8H11N.C8H12S.C7H9ClS.C7H9FS.C7H10N2.C7H10S.2C6H9NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8(9-3)10-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7(8)9-6;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h4-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1745.14 g/mol, XLogP of 35.67, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 167563197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).