(5-formylthiophen-2-yl) acetate

C7H6O3S — CID 54239970

IUPAC(5-formylthiophen-2-yl) acetate
SMILESCC(=O)Oc1ccc(C=O)s1
InChIInChI=1S/C7H6O3S/c1-5(9)10-7-3-2-6(4-8)11-7/h2-4H,1H3
InChIKeyVSLQTHCYGZIDFP-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.49
Rot. Bonds2

About (5-formylthiophen-2-yl) acetate

(5-formylthiophen-2-yl) acetate (PubChem CID 54239970) has the molecular formula C7H6O3S and a molecular weight of 170.19 g/mol. Its IUPAC name is (5-formylthiophen-2-yl) acetate.

Molecular Properties

Compound Name(5-formylthiophen-2-yl) acetate
PubChem CID54239970
Molecular FormulaC7H6O3S
Molecular Weight170.19 g/mol
Exact Mass170.00
IUPAC Name(5-formylthiophen-2-yl) acetate
SMILESCC(=O)Oc1ccc(C=O)s1
InChIInChI=1S/C7H6O3S/c1-5(9)10-7-3-2-6(4-8)11-7/h2-4H,1H3
InChIKeyVSLQTHCYGZIDFP-UHFFFAOYSA-N
XLogP1.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-formylthiophen-2-yl) propanoate
CID 90706669
N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide
CID 113403885
[5-(chloromethyl)thiophen-2-yl] acetate
CID 143581485
[5-(bromomethyl)thiophen-2-yl] acetate
CID 174791723
(5-ethynylthiophen-2-yl) acetate
CID 174712384
5-[2-(2-methoxyethoxy)ethoxy]thiophene-2-carbaldehyde
CID 104562854
2-(5-acetyloxythiophen-2-yl)acetic acid
CID 57247905
5-diethylphosphoryloxythiophene-2-carbaldehyde
CID 174615900
thiophen-2-yl acetate
CID 23617313
5-methylsulfonylthiophene-2-carbaldehyde
CID 20623963
N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide
CID 113403944
(5-carboxyoxythiophen-2-yl) hydrogen carbonate
CID 23189622

Frequently Asked Questions

What is the IUPAC name of (5-formylthiophen-2-yl) acetate?
The IUPAC name of (5-formylthiophen-2-yl) acetate (CID 54239970) is (5-formylthiophen-2-yl) acetate.
What is the SMILES notation for (5-formylthiophen-2-yl) acetate?
The canonical SMILES for (5-formylthiophen-2-yl) acetate is CC(=O)Oc1ccc(C=O)s1.
What is the InChIKey of (5-formylthiophen-2-yl) acetate?
The InChIKey is VSLQTHCYGZIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S/c1-5(9)10-7-3-2-6(4-8)11-7/h2-4H,1H3.
What are the key properties of (5-formylthiophen-2-yl) acetate?
(5-formylthiophen-2-yl) acetate has a molecular weight of 170.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formylthiophen-2-yl) acetate is sourced from PubChem (CID 54239970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).