(4-ethoxyphenyl)-oxosulfanium

C8H9O2S+ — CID 174263309

IUPAC(4-ethoxyphenyl)-oxosulfanium
SMILESCCOc1ccc([S+]=O)cc1
InChIInChI=1S/C8H9O2S/c1-2-10-7-3-5-8(11-9)6-4-7/h3-6H,2H2,1H3/q+1
InChIKeyAWXWSSGLKYBBKE-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.87
Rot. Bonds3

About (4-ethoxyphenyl)-oxosulfanium

(4-ethoxyphenyl)-oxosulfanium (PubChem CID 174263309) has the molecular formula C8H9O2S+ and a molecular weight of 169.22 g/mol. Its IUPAC name is (4-ethoxyphenyl)-oxosulfanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)-oxosulfanium
PubChem CID174263309
Molecular FormulaC8H9O2S+
Molecular Weight169.22 g/mol
Exact Mass169.03
IUPAC Name(4-ethoxyphenyl)-oxosulfanium
SMILESCCOc1ccc([S+]=O)cc1
InChIInChI=1S/C8H9O2S/c1-2-10-7-3-5-8(11-9)6-4-7/h3-6H,2H2,1H3/q+1
InChIKeyAWXWSSGLKYBBKE-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
CID 43411658
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
1-(2,2-diethoxyethoxy)-4-ethoxybenzene
CID 63629434
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
ethoxybenzene chloride
CID 21193593
(4-ethoxyphenyl)phosphonic acid
CID 2779466

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-oxosulfanium?
The IUPAC name of (4-ethoxyphenyl)-oxosulfanium (CID 174263309) is (4-ethoxyphenyl)-oxosulfanium.
What is the SMILES notation for (4-ethoxyphenyl)-oxosulfanium?
The canonical SMILES for (4-ethoxyphenyl)-oxosulfanium is CCOc1ccc([S+]=O)cc1.
What is the InChIKey of (4-ethoxyphenyl)-oxosulfanium?
The InChIKey is AWXWSSGLKYBBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2S/c1-2-10-7-3-5-8(11-9)6-4-7/h3-6H,2H2,1H3/q+1.
What are the key properties of (4-ethoxyphenyl)-oxosulfanium?
(4-ethoxyphenyl)-oxosulfanium has a molecular weight of 169.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-oxosulfanium is sourced from PubChem (CID 174263309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).