methyl 2-(3-propylthiophen-2-yl)acetate

C10H14O2S — CID 89322022

IUPACmethyl 2-(3-propylthiophen-2-yl)acetate
SMILESCCCc1ccsc1CC(=O)OC
InChIInChI=1S/C10H14O2S/c1-3-4-8-5-6-13-9(8)7-10(11)12-2/h5-6H,3-4,7H2,1-2H3
InChIKeyRYFWNHXAMAFVMA-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.42
Rot. Bonds4

About methyl 2-(3-propylthiophen-2-yl)acetate

methyl 2-(3-propylthiophen-2-yl)acetate (PubChem CID 89322022) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is methyl 2-(3-propylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-propylthiophen-2-yl)acetate
PubChem CID89322022
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-(3-propylthiophen-2-yl)acetate
SMILESCCCc1ccsc1CC(=O)OC
InChIInChI=1S/C10H14O2S/c1-3-4-8-5-6-13-9(8)7-10(11)12-2/h5-6H,3-4,7H2,1-2H3
InChIKeyRYFWNHXAMAFVMA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(cyanomethyl)thiophen-3-yl]acetate
CID 102050122
methyl 2-[5-[[(3-ethylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82895050
2-propylthiophene-3-carboxylic acid
CID 131595068
(3-propylthiophen-2-yl) acetate
CID 151443720
methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate
CID 70605074
methyl 2-(3-propylphenyl)acetate
CID 89333992
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
CID 55031912
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
methyl 4-oxo-5-(4-propylphenyl)pentanoate
CID 63900279
methyl 2-ethylthiophene-3-carboxylate
CID 13099127
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 1-[(3-ethylthiophen-2-yl)methyl]azetidine-2-carboxylate
CID 112581631

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(3-propylthiophen-2-yl)acetate (CID 89322022) is methyl 2-(3-propylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-propylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(3-propylthiophen-2-yl)acetate is CCCc1ccsc1CC(=O)OC.
What is the InChIKey of methyl 2-(3-propylthiophen-2-yl)acetate?
The InChIKey is RYFWNHXAMAFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-4-8-5-6-13-9(8)7-10(11)12-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(3-propylthiophen-2-yl)acetate?
methyl 2-(3-propylthiophen-2-yl)acetate has a molecular weight of 198.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-propylthiophen-2-yl)acetate is sourced from PubChem (CID 89322022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).