methyl 5-ethylthiophene-2-carboxylate

C8H10O2S — CID 13356127

IUPACmethyl 5-ethylthiophene-2-carboxylate
SMILESCCc1ccc(C(=O)OC)s1
InChIInChI=1S/C8H10O2S/c1-3-6-4-5-7(11-6)8(9)10-2/h4-5H,3H2,1-2H3
InChIKeyXBHFFZLMQIVPDP-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.10
Rot. Bonds2

About methyl 5-ethylthiophene-2-carboxylate

methyl 5-ethylthiophene-2-carboxylate (PubChem CID 13356127) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is methyl 5-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethylthiophene-2-carboxylate
PubChem CID13356127
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namemethyl 5-ethylthiophene-2-carboxylate
SMILESCCc1ccc(C(=O)OC)s1
InChIInChI=1S/C8H10O2S/c1-3-6-4-5-7(11-6)8(9)10-2/h4-5H,3H2,1-2H3
InChIKeyXBHFFZLMQIVPDP-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylthiophene-2-carboxylate?
The IUPAC name of methyl 5-ethylthiophene-2-carboxylate (CID 13356127) is methyl 5-ethylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-ethylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-ethylthiophene-2-carboxylate is CCc1ccc(C(=O)OC)s1.
What is the InChIKey of methyl 5-ethylthiophene-2-carboxylate?
The InChIKey is XBHFFZLMQIVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-6-4-5-7(11-6)8(9)10-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 5-ethylthiophene-2-carboxylate?
methyl 5-ethylthiophene-2-carboxylate has a molecular weight of 170.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylthiophene-2-carboxylate is sourced from PubChem (CID 13356127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).