2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene

C122H122F18O3S5 — CID 160719447

About 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene

2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene (PubChem CID 160719447) has the molecular formula C122H122F18O3S5 and a molecular weight of 2138.61 g/mol. Its IUPAC name is 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene.

Molecular Properties

• Compound Name: 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene
• PubChem CID: 160719447
• Molecular Formula: C122H122F18O3S5
• Molecular Weight: 2138.61 g/mol
• Exact Mass: 2136.77
• IUPAC Name: 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene
• SMILES: COc1ccc(C(c2ccc(C)c(-c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1-c1ccccc1.COc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.CSc1c(-c2ccccc2)cc(C)cc1-c1ccccc1.CSc1c(C)cc(C)cc1C.CSc1cc(C)c(C)cc1C.CSc1ccc(C)cc1.CSc1ccc(C)cc1C
• InChI: InChI=1S/C29H22F6O.C20H18S.C19H18F6O.C17H14F6O.2C10H14S.C9H12S.C8H10S/c1-19-13-14-22(17-24(19)20-9-5-3-6-10-20)27(28(30,31)32,29(33,34)35)23-15-16-26(36-2)25(18-23)21-11-7-4-8-12-21;1-15-13-18(16-9-5-3-6-10-16)20(21-2)19(14-15)17-11-7-4-8-12-17;1-11-5-6-14(9-12(11)2)17(18(20,21)22,19(23,24)25)15-7-8-16(26-4)13(3)10-15;1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-7-5-9(3)10(11-4)6-8(7)2;1-7-5-8(2)10(11-4)9(3)6-7;1-7-4-5-9(10-3)8(2)6-7;1-7-3-5-8(9-2)6-4-7/h3-18H,1-2H3;3-14H,1-2H3;5-10H,1-4H3;3-10H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3
• InChIKey: RSXDZIIZRJBJJB-UHFFFAOYSA-N
• XLogP: 38.65
• TPSA: 27.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2138.61
LogP ≤ 5	38.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene?

The IUPAC name of 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene (CID 160719447) is 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene.

What is the SMILES notation for 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene?

The canonical SMILES for 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene is COc1ccc(C(c2ccc(C)c(-c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1-c1ccccc1.COc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.CSc1c(-c2ccccc2)cc(C)cc1-c1ccccc1.CSc1c(C)cc(C)cc1C.CSc1cc(C)c(C)cc1C.CSc1ccc(C)cc1.CSc1ccc(C)cc1C.

What is the InChIKey of 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene?

The InChIKey is RSXDZIIZRJBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O.C20H18S.C19H18F6O.C17H14F6O.2C10H14S.C9H12S.C8H10S/c1-19-13-14-22(17-24(19)20-9-5-3-6-10-20)27(28(30,31)32,29(33,34)35)23-15-16-26(36-2)25(18-23)21-11-7-4-8-12-21;1-15-13-18(16-9-5-3-6-10-16)20(21-2)19(14-15)17-11-7-4-8-12-17;1-11-5-6-14(9-12(11)2)17(18(20,21)22,19(23,24)25)15-7-8-16(26-4)13(3)10-15;1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-7-5-9(3)10(11-4)6-8(7)2;1-7-5-8(2)10(11-4)9(3)6-7;1-7-4-5-9(10-3)8(2)6-7;1-7-3-5-8(9-2)6-4-7/h3-18H,1-2H3;3-14H,1-2H3;5-10H,1-4H3;3-10H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3.

What are the key properties of 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene?

2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene has a molecular weight of 2138.61 g/mol, XLogP of 38.65, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1-methylsulfanylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methoxy-2-methylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxy-3-phenylphenyl)propan-2-yl]-1-methyl-2-phenylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;5-methyl-2-methylsulfanyl-1,3-diphenylbenzene;1,2,4-trimethyl-5-methylsulfanylbenzene;1,3,5-trimethyl-2-methylsulfanylbenzene is sourced from PubChem (CID 160719447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).