2-ethoxysulfanylphenol

C8H10O2S — CID 20674240

IUPAC2-ethoxysulfanylphenol
SMILESCCOSc1ccccc1O
InChIInChI=1S/C8H10O2S/c1-2-10-11-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChIKeyCGONOWXIUBCPEU-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.44
Rot. Bonds3

About 2-ethoxysulfanylphenol

2-ethoxysulfanylphenol (PubChem CID 20674240) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-ethoxysulfanylphenol.

Molecular Properties

Compound Name2-ethoxysulfanylphenol
PubChem CID20674240
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-ethoxysulfanylphenol
SMILESCCOSc1ccccc1O
InChIInChI=1S/C8H10O2S/c1-2-10-11-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChIKeyCGONOWXIUBCPEU-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol
CID 67801086
cobalt;bis(2-methylsulfanylphenol);dihydrate
CID 70522952
diethyl 2-propylpropanedioate;2-methylsulfanylphenol
CID 174285868
2-(triethylsilylmethylsulfanyl)phenol
CID 67587312
ethane;S-(2-hydroxyphenyl) methanethioate;propane
CID 143333899
2-tetracosylsulfanylphenol
CID 139712021
2-bromophenol;ethane;methoxyethane
CID 91423114
2-methylsulfanylphenol;naphthalene
CID 174459188
2-[(2-hydroxyphenyl)sulfanyl-dimethylstannyl]sulfanylphenol
CID 139686325
2-pyridin-2-yloxysulfanylphenol
CID 70530301
2-[1-hydroperoxy-1-(2-hydroxyphenyl)sulfanylpentyl]sulfanylphenol
CID 154113690
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693

Frequently Asked Questions

What is the IUPAC name of 2-ethoxysulfanylphenol?
The IUPAC name of 2-ethoxysulfanylphenol (CID 20674240) is 2-ethoxysulfanylphenol.
What is the SMILES notation for 2-ethoxysulfanylphenol?
The canonical SMILES for 2-ethoxysulfanylphenol is CCOSc1ccccc1O.
What is the InChIKey of 2-ethoxysulfanylphenol?
The InChIKey is CGONOWXIUBCPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-10-11-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3.
What are the key properties of 2-ethoxysulfanylphenol?
2-ethoxysulfanylphenol has a molecular weight of 170.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxysulfanylphenol is sourced from PubChem (CID 20674240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).