ethyl 2-thiophen-3-ylacetate

C8H10O2S — CID 520865

IUPACethyl 2-thiophen-3-ylacetate
SMILESCCOC(=O)Cc1ccsc1
InChIInChI=1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3
InChIKeyFZBNQIWPYCUPAP-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-thiophen-3-ylacetate

ethyl 2-thiophen-3-ylacetate (PubChem CID 520865) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylacetate
PubChem CID520865
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Nameethyl 2-thiophen-3-ylacetate
SMILESCCOC(=O)Cc1ccsc1
InChIInChI=1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3
InChIKeyFZBNQIWPYCUPAP-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenacetic acid
CID 23404
Ethyl 2-thienylacetate
CID 93657
Diethyl (3-thienyl)malonate
CID 3015942
2-(Thiophen-3-yl)propanoic acid
CID 13134867
Methyl 3-thienylacetate
CID 94041
Methyl 2-(2-bromothiophen-3-yl)acetate
CID 57116941
2-Methyl-3-thiopheneacetic acid
CID 768693
Icosa-5,8,11,14-tetraenoic acid 2-thiophen-3-yl-ethyl ester
CID 11015192
Ethyl 2-(5-methylthiophen-3-yl)acetate
CID 64985223
Methyl 3-(thiophen-3-yl)propanoate
CID 9793962
alpha,alpha-Dimethyl-3-thiopheneacetic acid
CID 19092029
Ethyl 2-methyl-2-(thiophen-2-yl)propanoate
CID 21099804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylacetate?
The IUPAC name of ethyl 2-thiophen-3-ylacetate (CID 520865) is ethyl 2-thiophen-3-ylacetate.
What is the SMILES notation for ethyl 2-thiophen-3-ylacetate?
The canonical SMILES for ethyl 2-thiophen-3-ylacetate is CCOC(=O)Cc1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-ylacetate?
The InChIKey is FZBNQIWPYCUPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-thiophen-3-ylacetate?
ethyl 2-thiophen-3-ylacetate has a molecular weight of 170.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylacetate is sourced from PubChem (CID 520865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).