propyl 3-methylthiophene-2-carboxylate

C9H12O2S — CID 43389525

IUPACpropyl 3-methylthiophene-2-carboxylate
SMILESCCCOC(=O)c1sccc1C
InChIInChI=1S/C9H12O2S/c1-3-5-11-9(10)8-7(2)4-6-12-8/h4,6H,3,5H2,1-2H3
InChIKeyYEKAGQFIESRPCX-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.62
Rot. Bonds3

About propyl 3-methylthiophene-2-carboxylate

propyl 3-methylthiophene-2-carboxylate (PubChem CID 43389525) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is propyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-methylthiophene-2-carboxylate
PubChem CID43389525
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Namepropyl 3-methylthiophene-2-carboxylate
SMILESCCCOC(=O)c1sccc1C
InChIInChI=1S/C9H12O2S/c1-3-5-11-9(10)8-7(2)4-6-12-8/h4,6H,3,5H2,1-2H3
InChIKeyYEKAGQFIESRPCX-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3-methylthiophene-2-carboxylate?
The IUPAC name of propyl 3-methylthiophene-2-carboxylate (CID 43389525) is propyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for propyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for propyl 3-methylthiophene-2-carboxylate is CCCOC(=O)c1sccc1C.
What is the InChIKey of propyl 3-methylthiophene-2-carboxylate?
The InChIKey is YEKAGQFIESRPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-5-11-9(10)8-7(2)4-6-12-8/h4,6H,3,5H2,1-2H3.
What are the key properties of propyl 3-methylthiophene-2-carboxylate?
propyl 3-methylthiophene-2-carboxylate has a molecular weight of 184.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 43389525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).