ethyl 3-(2-methylthiophen-3-yl)propanoate

C10H14O2S — CID 102837254

IUPACethyl 3-(2-methylthiophen-3-yl)propanoate
SMILESCCOC(=O)CCc1ccsc1C
InChIInChI=1S/C10H14O2S/c1-3-12-10(11)5-4-9-6-7-13-8(9)2/h6-7H,3-5H2,1-2H3
InChIKeyNEEGFXPLTHIRRP-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.55
Rot. Bonds4

About ethyl 3-(2-methylthiophen-3-yl)propanoate

ethyl 3-(2-methylthiophen-3-yl)propanoate (PubChem CID 102837254) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is ethyl 3-(2-methylthiophen-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methylthiophen-3-yl)propanoate
PubChem CID102837254
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameethyl 3-(2-methylthiophen-3-yl)propanoate
SMILESCCOC(=O)CCc1ccsc1C
InChIInChI=1S/C10H14O2S/c1-3-12-10(11)5-4-9-6-7-13-8(9)2/h6-7H,3-5H2,1-2H3
InChIKeyNEEGFXPLTHIRRP-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylthiophen-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-methylthiophen-3-yl)propanoate (CID 102837254) is ethyl 3-(2-methylthiophen-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-methylthiophen-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-methylthiophen-3-yl)propanoate is CCOC(=O)CCc1ccsc1C.
What is the InChIKey of ethyl 3-(2-methylthiophen-3-yl)propanoate?
The InChIKey is NEEGFXPLTHIRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-12-10(11)5-4-9-6-7-13-8(9)2/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(2-methylthiophen-3-yl)propanoate?
ethyl 3-(2-methylthiophen-3-yl)propanoate has a molecular weight of 198.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylthiophen-3-yl)propanoate is sourced from PubChem (CID 102837254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).