methyl 5-methylthiophene-2-carboxylate

C7H8O2S — CID 580756

IUPACmethyl 5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C)s1
InChIInChI=1S/C7H8O2S/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChIKeyNEPZGUGQLAOODR-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.84
Rot. Bonds1

About methyl 5-methylthiophene-2-carboxylate

methyl 5-methylthiophene-2-carboxylate (PubChem CID 580756) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is methyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylthiophene-2-carboxylate
PubChem CID580756
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Namemethyl 5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C)s1
InChIInChI=1S/C7H8O2S/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChIKeyNEPZGUGQLAOODR-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-methylthiophene-2-carboxylate (CID 580756) is methyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-methylthiophene-2-carboxylate is COC(=O)c1ccc(C)s1.
What is the InChIKey of methyl 5-methylthiophene-2-carboxylate?
The InChIKey is NEPZGUGQLAOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3.
What are the key properties of methyl 5-methylthiophene-2-carboxylate?
methyl 5-methylthiophene-2-carboxylate has a molecular weight of 156.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 580756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).