2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde

C10H12O2S — CID 89173612

IUPAC2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde
SMILESCCc1cc(O)ccc1SCC=O
InChIInChI=1S/C10H12O2S/c1-2-8-7-9(12)3-4-10(8)13-6-5-11/h3-5,7,12H,2,6H2,1H3
InChIKeyKYVOZNVGQIMJAR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde

2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde (PubChem CID 89173612) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde
PubChem CID89173612
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde
SMILESCCc1cc(O)ccc1SCC=O
InChIInChI=1S/C10H12O2S/c1-2-8-7-9(12)3-4-10(8)13-6-5-11/h3-5,7,12H,2,6H2,1H3
InChIKeyKYVOZNVGQIMJAR-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde?
The IUPAC name of 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde (CID 89173612) is 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde.
What is the SMILES notation for 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde?
The canonical SMILES for 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde is CCc1cc(O)ccc1SCC=O.
What is the InChIKey of 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde?
The InChIKey is KYVOZNVGQIMJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-8-7-9(12)3-4-10(8)13-6-5-11/h3-5,7,12H,2,6H2,1H3.
What are the key properties of 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde?
2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde has a molecular weight of 196.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde is sourced from PubChem (CID 89173612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).