propyl thiophene-2-carboxylate

C8H10O2S — CID 573763

IUPACpropyl thiophene-2-carboxylate
SMILESCCCOC(=O)c1cccs1
InChIInChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3
InChIKeyHYLLYJWFXKKKOW-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.31
Rot. Bonds3

About propyl thiophene-2-carboxylate

propyl thiophene-2-carboxylate (PubChem CID 573763) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is propyl thiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl thiophene-2-carboxylate
PubChem CID573763
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namepropyl thiophene-2-carboxylate
SMILESCCCOC(=O)c1cccs1
InChIInChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3
InChIKeyHYLLYJWFXKKKOW-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl thiophene-2-carboxylate?
The IUPAC name of propyl thiophene-2-carboxylate (CID 573763) is propyl thiophene-2-carboxylate.
What is the SMILES notation for propyl thiophene-2-carboxylate?
The canonical SMILES for propyl thiophene-2-carboxylate is CCCOC(=O)c1cccs1.
What is the InChIKey of propyl thiophene-2-carboxylate?
The InChIKey is HYLLYJWFXKKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3.
What are the key properties of propyl thiophene-2-carboxylate?
propyl thiophene-2-carboxylate has a molecular weight of 170.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl thiophene-2-carboxylate is sourced from PubChem (CID 573763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).