ethyl 2-thiophen-3-ylbutanoate

C10H14O2S — CID 12577566

IUPACethyl 2-thiophen-3-ylbutanoate
SMILESCCOC(=O)C(CC)c1ccsc1
InChIInChI=1S/C10H14O2S/c1-3-9(10(11)12-4-2)8-5-6-13-7-8/h5-7,9H,3-4H2,1-2H3
InChIKeyGVEVXKKXVBMZOG-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.80
Rot. Bonds4

About ethyl 2-thiophen-3-ylbutanoate

ethyl 2-thiophen-3-ylbutanoate (PubChem CID 12577566) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylbutanoate
PubChem CID12577566
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameethyl 2-thiophen-3-ylbutanoate
SMILESCCOC(=O)C(CC)c1ccsc1
InChIInChI=1S/C10H14O2S/c1-3-9(10(11)12-4-2)8-5-6-13-7-8/h5-7,9H,3-4H2,1-2H3
InChIKeyGVEVXKKXVBMZOG-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
(4-methyl-2-sulfanylphenyl) 2-thiophen-3-ylbutanoate
CID 19023761
ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
ethyl 2-phenylbutanoate;sulfane
CID 174662373
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
ethyl 2-(4-butan-2-ylphenyl)butanoate
CID 10490801
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
ethyl 3-benzoyl-4-oxo-4-phenyl-2-thiophen-3-ylbutanoate
CID 172994244
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
ethyl 2-(3,4-dihydroxyphenyl)butanoate
CID 139641530

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylbutanoate?
The IUPAC name of ethyl 2-thiophen-3-ylbutanoate (CID 12577566) is ethyl 2-thiophen-3-ylbutanoate.
What is the SMILES notation for ethyl 2-thiophen-3-ylbutanoate?
The canonical SMILES for ethyl 2-thiophen-3-ylbutanoate is CCOC(=O)C(CC)c1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-ylbutanoate?
The InChIKey is GVEVXKKXVBMZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-9(10(11)12-4-2)8-5-6-13-7-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-thiophen-3-ylbutanoate?
ethyl 2-thiophen-3-ylbutanoate has a molecular weight of 198.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylbutanoate is sourced from PubChem (CID 12577566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).