methyl 2-ethylthiophene-3-carboxylate

C8H10O2S — CID 13099127

IUPACmethyl 2-ethylthiophene-3-carboxylate
SMILESCCc1sccc1C(=O)OC
InChIInChI=1S/C8H10O2S/c1-3-7-6(4-5-11-7)8(9)10-2/h4-5H,3H2,1-2H3
InChIKeyNMYSIZPFBZSMQZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.10
Rot. Bonds2

About methyl 2-ethylthiophene-3-carboxylate

methyl 2-ethylthiophene-3-carboxylate (PubChem CID 13099127) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is methyl 2-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylthiophene-3-carboxylate
PubChem CID13099127
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namemethyl 2-ethylthiophene-3-carboxylate
SMILESCCc1sccc1C(=O)OC
InChIInChI=1S/C8H10O2S/c1-3-7-6(4-5-11-7)8(9)10-2/h4-5H,3H2,1-2H3
InChIKeyNMYSIZPFBZSMQZ-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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Related Compounds

4-(3-methoxycarbonylthiophen-2-yl)butane-1-sulfonic acid
CID 58052946
methyl 2-acetylthiophene-3-carboxylate
CID 13447179
methyl 2-methylsulfonylthiophene-3-carboxylate
CID 166260160
methyl 2-(3-methylhexan-3-yl)thiophene-3-carboxylate
CID 138502818
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]thiophene-3-carboxylate
CID 134946572
methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
CID 82316810
methyl 2-[(E)-1-methoxyethylideneamino]thiophene-3-carboxylate
CID 20678897
methyl 3-(trideuteriomethyl)thiophene-2-carboxylate
CID 155662295
methyl 2-(propylcarbamothioylamino)thiophene-3-carboxylate
CID 22966909
methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen
CID 167618862
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-ethylthiophene-3-carboxylate (CID 13099127) is methyl 2-ethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-ethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-ethylthiophene-3-carboxylate is CCc1sccc1C(=O)OC.
What is the InChIKey of methyl 2-ethylthiophene-3-carboxylate?
The InChIKey is NMYSIZPFBZSMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-7-6(4-5-11-7)8(9)10-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-ethylthiophene-3-carboxylate?
methyl 2-ethylthiophene-3-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 2-ethylthiophene-3-carboxylate is sourced from PubChem (CID 13099127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).