1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole

C55H68Cl6N8S4 — CID 158359018

About 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole

1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole (PubChem CID 158359018) has the molecular formula C55H68Cl6N8S4 and a molecular weight of 1182.19 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole.

Molecular Properties

• Compound Name: 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole
• PubChem CID: 158359018
• Molecular Formula: C55H68Cl6N8S4
• Molecular Weight: 1182.19 g/mol
• Exact Mass: 1178.26
• IUPAC Name: 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole
• SMILES: Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(Cl)s1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(C)n1.Cc1cn(C)nn1.Cc1cnc(Cl)c(C)c1.Cc1csc(C)c1.Cc1csc(C)n1.Cc1nc(C)c(Cl)s1
• InChI: InChI=1S/C8H9Cl.3C7H8ClN.C6H7ClS.C6H8S.C5H6ClNS.C5H7NS.C4H7N3/c1-6-3-4-8(9)7(2)5-6;1-5-3-6(2)9-4-7(5)8;1-5-3-6(2)7(8)9-4-5;1-5-3-4-7(8)6(2)9-5;1-4-3-5(2)8-6(4)7;1-5-3-6(2)7-4-5;1-3-5(6)8-4(2)7-3;1-4-3-7-5(2)6-4;1-4-3-7(2)6-5-4/h3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3;2*3H,1-2H3
• InChIKey: GTFWRHUEXQUSLA-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 95.16 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1182.19
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole?

The IUPAC name of 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole (CID 158359018) is 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole.

What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole?

The canonical SMILES for 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole is Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(Cl)s1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(C)n1.Cc1cn(C)nn1.Cc1cnc(Cl)c(C)c1.Cc1csc(C)c1.Cc1csc(C)n1.Cc1nc(C)c(Cl)s1.

What is the InChIKey of 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole?

The InChIKey is GTFWRHUEXQUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.3C7H8ClN.C6H7ClS.C6H8S.C5H6ClNS.C5H7NS.C4H7N3/c1-6-3-4-8(9)7(2)5-6;1-5-3-6(2)9-4-7(5)8;1-5-3-6(2)7(8)9-4-5;1-5-3-4-7(8)6(2)9-5;1-4-3-5(2)8-6(4)7;1-5-3-6(2)7-4-5;1-3-5(6)8-4(2)7-3;1-4-3-7-5(2)6-4;1-4-3-7(2)6-5-4/h3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3;2*3H,1-2H3.

What are the key properties of 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole?

1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole has a molecular weight of 1182.19 g/mol, XLogP of 19.69, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2,4-dimethylbenzene;2-chloro-3,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;5-chloro-2,4-dimethyl-1,3-thiazole;2-chloro-3,5-dimethylthiophene;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;1,4-dimethyltriazole is sourced from PubChem (CID 158359018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).