ethyl 2-thiophen-2-ylsulfonylacetate

C8H10O4S2 — CID 10998940

IUPACethyl 2-thiophen-2-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C8H10O4S2/c1-2-12-7(9)6-14(10,11)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChIKeyXEAPLNIGISXOMQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds4

About ethyl 2-thiophen-2-ylsulfonylacetate

ethyl 2-thiophen-2-ylsulfonylacetate (PubChem CID 10998940) has the molecular formula C8H10O4S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-thiophen-2-ylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-ylsulfonylacetate
PubChem CID10998940
Molecular FormulaC8H10O4S2
Molecular Weight234.30 g/mol
Exact Mass234.00
IUPAC Nameethyl 2-thiophen-2-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C8H10O4S2/c1-2-12-7(9)6-14(10,11)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChIKeyXEAPLNIGISXOMQ-UHFFFAOYSA-N
XLogP1.08
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Acetyloxypropanesulfonyl)thiophene-2-sulfonamide
CID 15599385
5-(3-Methoxyacetyloxypropanesulfonyl)thiophene-2-sulfonamide
CID 15599386
2-(5-Sulfamoylthiophene-2-sulfonyl)ethyl acetate
CID 23274983
O-ethyl 2-thiophen-2-ylsulfonylethanethioate
CID 56668815
ethyl (Z)-3-(2-thienylsulfanyl)prop-2-enoate
CID 46906508
Ethyl 2-(thiophen-2-ylthio)acetate
CID 15415459
Ethyl (3-thienylmercapto)acetate
CID 13099962
Ethyl thiophene-2-sulfonate
CID 11106203
Methyl 2-(2-thienylthio)acetate
CID 12201118
Acetic acid, (3-thienylthio)-, methyl ester
CID 12209817
2-(2-Propan-2-yloxyethylsulfonyl)thiophene
CID 71981813
Methyl 3-(4-fluorothiophen-2-yl)sulfonylpropanoate
CID 156531248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-ylsulfonylacetate?
The IUPAC name of ethyl 2-thiophen-2-ylsulfonylacetate (CID 10998940) is ethyl 2-thiophen-2-ylsulfonylacetate.
What is the SMILES notation for ethyl 2-thiophen-2-ylsulfonylacetate?
The canonical SMILES for ethyl 2-thiophen-2-ylsulfonylacetate is CCOC(=O)CS(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-ylsulfonylacetate?
The InChIKey is XEAPLNIGISXOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S2/c1-2-12-7(9)6-14(10,11)8-4-3-5-13-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-thiophen-2-ylsulfonylacetate?
ethyl 2-thiophen-2-ylsulfonylacetate has a molecular weight of 234.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-ylsulfonylacetate is sourced from PubChem (CID 10998940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).