methyl 2-(5-methylthiophen-3-yl)acetate

C8H10O2S — CID 70418806

IUPACmethyl 2-(5-methylthiophen-3-yl)acetate
SMILESCOC(=O)Cc1csc(C)c1
InChIInChI=1S/C8H10O2S/c1-6-3-7(5-11-6)4-8(9)10-2/h3,5H,4H2,1-2H3
InChIKeyOEJWJNSMGHEUKD-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.77
Rot. Bonds2

About methyl 2-(5-methylthiophen-3-yl)acetate

methyl 2-(5-methylthiophen-3-yl)acetate (PubChem CID 70418806) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is methyl 2-(5-methylthiophen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methylthiophen-3-yl)acetate
PubChem CID70418806
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namemethyl 2-(5-methylthiophen-3-yl)acetate
SMILESCOC(=O)Cc1csc(C)c1
InChIInChI=1S/C8H10O2S/c1-6-3-7(5-11-6)4-8(9)10-2/h3,5H,4H2,1-2H3
InChIKeyOEJWJNSMGHEUKD-UHFFFAOYSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylthiophen-3-yl)acetate?
The IUPAC name of methyl 2-(5-methylthiophen-3-yl)acetate (CID 70418806) is methyl 2-(5-methylthiophen-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-methylthiophen-3-yl)acetate?
The canonical SMILES for methyl 2-(5-methylthiophen-3-yl)acetate is COC(=O)Cc1csc(C)c1.
What is the InChIKey of methyl 2-(5-methylthiophen-3-yl)acetate?
The InChIKey is OEJWJNSMGHEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6-3-7(5-11-6)4-8(9)10-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(5-methylthiophen-3-yl)acetate?
methyl 2-(5-methylthiophen-3-yl)acetate has a molecular weight of 170.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylthiophen-3-yl)acetate is sourced from PubChem (CID 70418806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).