(4-chlorothiophen-3-yl) propanoate

C7H7ClO2S — CID 57281568

IUPAC(4-chlorothiophen-3-yl) propanoate
SMILESCCC(=O)Oc1cscc1Cl
InChIInChI=1S/C7H7ClO2S/c1-2-7(9)10-6-4-11-3-5(6)8/h3-4H,2H2,1H3
InChIKeyYLCKDLZMBQQEOZ-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.72
Rot. Bonds2

About (4-chlorothiophen-3-yl) propanoate

(4-chlorothiophen-3-yl) propanoate (PubChem CID 57281568) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is (4-chlorothiophen-3-yl) propanoate.

Molecular Properties

Compound Name(4-chlorothiophen-3-yl) propanoate
PubChem CID57281568
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name(4-chlorothiophen-3-yl) propanoate
SMILESCCC(=O)Oc1cscc1Cl
InChIInChI=1S/C7H7ClO2S/c1-2-7(9)10-6-4-11-3-5(6)8/h3-4H,2H2,1H3
InChIKeyYLCKDLZMBQQEOZ-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-3-yl) propanoate?
The IUPAC name of (4-chlorothiophen-3-yl) propanoate (CID 57281568) is (4-chlorothiophen-3-yl) propanoate.
What is the SMILES notation for (4-chlorothiophen-3-yl) propanoate?
The canonical SMILES for (4-chlorothiophen-3-yl) propanoate is CCC(=O)Oc1cscc1Cl.
What is the InChIKey of (4-chlorothiophen-3-yl) propanoate?
The InChIKey is YLCKDLZMBQQEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-2-7(9)10-6-4-11-3-5(6)8/h3-4H,2H2,1H3.
What are the key properties of (4-chlorothiophen-3-yl) propanoate?
(4-chlorothiophen-3-yl) propanoate has a molecular weight of 190.65 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-3-yl) propanoate is sourced from PubChem (CID 57281568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).