1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene

C93H110Cl2F2N6O2S2 — CID 160666143

About 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene

1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene (PubChem CID 160666143) has the molecular formula C93H110Cl2F2N6O2S2 and a molecular weight of 1516.98 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene.

Molecular Properties

• Compound Name: 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene
• PubChem CID: 160666143
• Molecular Formula: C93H110Cl2F2N6O2S2
• Molecular Weight: 1516.98 g/mol
• Exact Mass: 1514.75
• IUPAC Name: 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene
• SMILES: CC1CCOCC1.COc1ccc(C)cc1.Cc1ccc(C#N)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccn1.Cc1cccs1.Cc1ccncc1.Cc1cnccn1.Cc1cncs1
• InChI: InChI=1S/C8H9Cl.C8H9F.C8H7N.C8H10O.C8H10.C7H7Cl.C7H7F.C7H8.2C6H7N.C6H12O.C5H6N2.C5H6S.C4H5NS/c1-6-3-4-8(9)7(2)5-6;1-6-3-4-8(9)5-7(6)2;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)2;2*1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4/h2*3-5H,1-2H3;2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;2*2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;2-4H,1H3;2-3H,1H3
• InChIKey: RMIBHHSPNDRLIK-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 106.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1516.98
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene?

The IUPAC name of 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene (CID 160666143) is 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene.

What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene?

The canonical SMILES for 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene is CC1CCOCC1.COc1ccc(C)cc1.Cc1ccc(C#N)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccn1.Cc1cccs1.Cc1ccncc1.Cc1cnccn1.Cc1cncs1.

What is the InChIKey of 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene?

The InChIKey is RMIBHHSPNDRLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.C8H9F.C8H7N.C8H10O.C8H10.C7H7Cl.C7H7F.C7H8.2C6H7N.C6H12O.C5H6N2.C5H6S.C4H5NS/c1-6-3-4-8(9)7(2)5-6;1-6-3-4-8(9)5-7(6)2;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)2;2*1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4/h2*3-5H,1-2H3;2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;2*2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene?

1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene has a molecular weight of 1516.98 g/mol, XLogP of 26.86, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2,4-dimethylbenzene;1-chloro-4-methylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;4-methyloxane;2-methylpyrazine;2-methylpyridine;4-methylpyridine;5-methyl-1,3-thiazole;2-methylthiophene;toluene;1,2-xylene is sourced from PubChem (CID 160666143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).