ethyl-(4-methoxyphenyl)-phenylsulfanium

C15H17OS+ — CID 154467507

IUPACethyl-(4-methoxyphenyl)-phenylsulfanium
SMILESCC[S+](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C15H17OS/c1-3-17(14-7-5-4-6-8-14)15-11-9-13(16-2)10-12-15/h4-12H,3H2,1-2H3/q+1
InChIKeyPCZOYNQQWNEXEE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.75
Rot. Bonds4

About ethyl-(4-methoxyphenyl)-phenylsulfanium

ethyl-(4-methoxyphenyl)-phenylsulfanium (PubChem CID 154467507) has the molecular formula C15H17OS+ and a molecular weight of 245.37 g/mol. Its IUPAC name is ethyl-(4-methoxyphenyl)-phenylsulfanium.

Molecular Properties

Compound Nameethyl-(4-methoxyphenyl)-phenylsulfanium
PubChem CID154467507
Molecular FormulaC15H17OS+
Molecular Weight245.37 g/mol
Exact Mass245.10
IUPAC Nameethyl-(4-methoxyphenyl)-phenylsulfanium
SMILESCC[S+](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C15H17OS/c1-3-17(14-7-5-4-6-8-14)15-11-9-13(16-2)10-12-15/h4-12H,3H2,1-2H3/q+1
InChIKeyPCZOYNQQWNEXEE-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

anisole;argon;propane
CID 165043377
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
CID 11287975
CID 11287975
acetylene;anisole
CID 86033716
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
CID 173331709
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
anisole;ethyl(trimethoxy)silane
CID 174632605

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-methoxyphenyl)-phenylsulfanium?
The IUPAC name of ethyl-(4-methoxyphenyl)-phenylsulfanium (CID 154467507) is ethyl-(4-methoxyphenyl)-phenylsulfanium.
What is the SMILES notation for ethyl-(4-methoxyphenyl)-phenylsulfanium?
The canonical SMILES for ethyl-(4-methoxyphenyl)-phenylsulfanium is CC[S+](c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl-(4-methoxyphenyl)-phenylsulfanium?
The InChIKey is PCZOYNQQWNEXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17OS/c1-3-17(14-7-5-4-6-8-14)15-11-9-13(16-2)10-12-15/h4-12H,3H2,1-2H3/q+1.
What are the key properties of ethyl-(4-methoxyphenyl)-phenylsulfanium?
ethyl-(4-methoxyphenyl)-phenylsulfanium has a molecular weight of 245.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methoxyphenyl)-phenylsulfanium is sourced from PubChem (CID 154467507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).