fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane

C23H25FOS — CID 139924221

IUPACfluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane
SMILESCOCCc1ccc(S(F)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25FOS/c1-18-4-10-21(11-5-18)26(24,22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)16-17-25-3/h4-15H,16-17H2,1-3H3
InChIKeyYWEMBHAXYLYVNX-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.66
Rot. Bonds6

About fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane

fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane (PubChem CID 139924221) has the molecular formula C23H25FOS and a molecular weight of 368.52 g/mol. Its IUPAC name is fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane.

Molecular Properties

Compound Namefluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane
PubChem CID139924221
Molecular FormulaC23H25FOS
Molecular Weight368.52 g/mol
Exact Mass368.16
IUPAC Namefluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane
SMILESCOCCc1ccc(S(F)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25FOS/c1-18-4-10-21(11-5-18)26(24,22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)16-17-25-3/h4-15H,16-17H2,1-3H3
InChIKeyYWEMBHAXYLYVNX-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenyl]sulfanylbenzene
CID 20735237
[4-(Hydroxymethyl)phenyl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 58937535
[4-(2-Methoxyethyl)phenyl] thiohypofluorite
CID 139540069
Fluoro-tris(4-methylphenyl)-lambda4-sulfane
CID 140004114
2-(4-Diphenylsulfoniophenyl)ethoxysulfonyl-(trifluoromethylsulfonyl)azanide
CID 140753371
Bis[4-(methoxymethyl)phenyl]-[2-(trifluoromethyl)phenyl]sulfanium
CID 164705789
(4-Ethylphenyl)-fluoro-diphenyl-lambda4-sulfane
CID 167163023
2-(4-Methylphenyl)sulfanyl-2-phenylethanol
CID 10824220
1-Methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene
CID 10616738
4-[Bis(phenylsulfanyl)methoxy]butylbenzene
CID 11245986
3-[3,3-Bis(phenylsulfanyl)propoxy]propylbenzene
CID 11452225
(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056

Frequently Asked Questions

What is the IUPAC name of fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane?
The IUPAC name of fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane (CID 139924221) is fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane.
What is the SMILES notation for fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane?
The canonical SMILES for fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane is COCCc1ccc(S(F)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane?
The InChIKey is YWEMBHAXYLYVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FOS/c1-18-4-10-21(11-5-18)26(24,22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)16-17-25-3/h4-15H,16-17H2,1-3H3.
What are the key properties of fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane?
fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane has a molecular weight of 368.52 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-λ4-sulfane is sourced from PubChem (CID 139924221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).