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

C25H29FOS — CID 139924202

IUPACbis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane
SMILESCCc1ccc(S(F)(c2ccc(CC)cc2)c2ccc(CCOC)cc2)cc1
InChIInChI=1S/C25H29FOS/c1-4-20-6-12-23(13-7-20)28(26,24-14-8-21(5-2)9-15-24)25-16-10-22(11-17-25)18-19-27-3/h6-17H,4-5,18-19H2,1-3H3
InChIKeyNASJBYRGFVPIPH-UHFFFAOYSA-N
MW396.57 g/mol
LogP7.17
Rot. Bonds8

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

bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane (PubChem CID 139924202) has the molecular formula C25H29FOS and a molecular weight of 396.57 g/mol. Its IUPAC name is bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane.

Molecular Properties

Compound Namebis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane
PubChem CID139924202
Molecular FormulaC25H29FOS
Molecular Weight396.57 g/mol
Exact Mass396.19
IUPAC Namebis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane
SMILESCCc1ccc(S(F)(c2ccc(CC)cc2)c2ccc(CCOC)cc2)cc1
InChIInChI=1S/C25H29FOS/c1-4-20-6-12-23(13-7-20)28(26,24-14-8-21(5-2)9-15-24)25-16-10-22(11-17-25)18-19-27-3/h6-17H,4-5,18-19H2,1-3H3
InChIKeyNASJBYRGFVPIPH-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 57.17
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 bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane?
The IUPAC name of bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane (CID 139924202) is bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane.
What is the SMILES notation for bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane?
The canonical SMILES for bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane is CCc1ccc(S(F)(c2ccc(CC)cc2)c2ccc(CCOC)cc2)cc1.
What is the InChIKey of bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane?
The InChIKey is NASJBYRGFVPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FOS/c1-4-20-6-12-23(13-7-20)28(26,24-14-8-21(5-2)9-15-24)25-16-10-22(11-17-25)18-19-27-3/h6-17H,4-5,18-19H2,1-3H3.
What are the key properties of bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane?
bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane has a molecular weight of 396.57 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-λ4-sulfane is sourced from PubChem (CID 139924202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).