1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene

C100H130F6N4O9S7 — CID 161333439

About 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene

1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene (PubChem CID 161333439) has the molecular formula C100H130F6N4O9S7 and a molecular weight of 1870.62 g/mol. Its IUPAC name is 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene.

Molecular Properties

• Compound Name: 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene
• PubChem CID: 161333439
• Molecular Formula: C100H130F6N4O9S7
• Molecular Weight: 1870.62 g/mol
• Exact Mass: 1868.78
• IUPAC Name: 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene
• SMILES: C.C.C=S(C)(=O)c1ccc(C)c(C)c1.C=S(C)(=O)c1ccc(C)c(F)c1.C=S(C)(=O)c1ccc(C)cc1.C=S(C)(=O)c1ccc(C)cc1F.C=S(C)(=O)c1ccc(C)cn1.Cc1cc(F)c(C)cc1F.Cc1cc(S(C)(=O)=O)cnc1C.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1cccnc1
• InChI: InChI=1S/C10H14OS.2C9H11FOS.C9H12OS.C8H8F2.2C8H9F.C8H11NO2S.C8H11NOS.C8H10.C7H9NO2S.C6H7N.2CH4/c1-8-5-6-10(7-9(8)2)12(3,4)11;1-7-4-5-8(6-9(7)10)12(2,3)11;1-7-4-5-9(8(10)6-7)12(2,3)11;1-8-4-6-9(7-5-8)11(2,3)10;1-5-3-8(10)6(2)4-7(5)9;2*1-6-3-4-7(2)8(9)5-6;1-6-4-8(12(3,10)11)5-9-7(6)2;1-7-4-5-8(9-6-7)11(2,3)10;1-7-3-5-8(2)6-4-7;1-6-3-4-7(5-8-6)11(2,9)10;1-6-3-2-4-7-5-6;;/h5-7H,3H2,1-2,4H3;2*4-6H,2H2,1,3H3;4-7H,2H2,1,3H3;3-4H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3;4-6H,2H2,1,3H3;3-6H,1-2H3;3-5H,1-2H3;2-5H,1H3;2*1H4
• InChIKey: VLSJJONGLICMLS-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 205.19 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1870.62
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene?

The IUPAC name of 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene (CID 161333439) is 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene.

What is the SMILES notation for 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene?

The canonical SMILES for 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene is C.C.C=S(C)(=O)c1ccc(C)c(C)c1.C=S(C)(=O)c1ccc(C)c(F)c1.C=S(C)(=O)c1ccc(C)cc1.C=S(C)(=O)c1ccc(C)cc1F.C=S(C)(=O)c1ccc(C)cn1.Cc1cc(F)c(C)cc1F.Cc1cc(S(C)(=O)=O)cnc1C.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1cccnc1.

What is the InChIKey of 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene?

The InChIKey is VLSJJONGLICMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS.2C9H11FOS.C9H12OS.C8H8F2.2C8H9F.C8H11NO2S.C8H11NOS.C8H10.C7H9NO2S.C6H7N.2CH4/c1-8-5-6-10(7-9(8)2)12(3,4)11;1-7-4-5-8(6-9(7)10)12(2,3)11;1-7-4-5-9(8(10)6-7)12(2,3)11;1-8-4-6-9(7-5-8)11(2,3)10;1-5-3-8(10)6(2)4-7(5)9;2*1-6-3-4-7(2)8(9)5-6;1-6-4-8(12(3,10)11)5-9-7(6)2;1-7-4-5-8(9-6-7)11(2,3)10;1-7-3-5-8(2)6-4-7;1-6-3-4-7(5-8-6)11(2,9)10;1-6-3-2-4-7-5-6;;/h5-7H,3H2,1-2,4H3;2*4-6H,2H2,1,3H3;4-7H,2H2,1,3H3;3-4H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3;4-6H,2H2,1,3H3;3-6H,1-2H3;3-5H,1-2H3;2-5H,1H3;2*1H4.

What are the key properties of 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene?

1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene has a molecular weight of 1870.62 g/mol, XLogP of 22.81, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-λ6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene is sourced from PubChem (CID 161333439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).