methyl 2-thiophen-2-ylpropanoate

C8H10O2S — CID 12819459

IUPACmethyl 2-thiophen-2-ylpropanoate
SMILESCOC(=O)C(C)c1cccs1
InChIInChI=1S/C8H10O2S/c1-6(8(9)10-2)7-4-3-5-11-7/h3-6H,1-2H3
InChIKeyFASSXLPWQJKPFP-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.02
Rot. Bonds2

About methyl 2-thiophen-2-ylpropanoate

methyl 2-thiophen-2-ylpropanoate (PubChem CID 12819459) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is methyl 2-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-thiophen-2-ylpropanoate
PubChem CID12819459
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namemethyl 2-thiophen-2-ylpropanoate
SMILESCOC(=O)C(C)c1cccs1
InChIInChI=1S/C8H10O2S/c1-6(8(9)10-2)7-4-3-5-11-7/h3-6H,1-2H3
InChIKeyFASSXLPWQJKPFP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
tert-butyl 2-thiophen-2-ylpropanoate
CID 66337067
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
methyl 2-bromo-3-(1-thiophen-2-ylethylamino)propanoate
CID 103238683
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
methyl 2-bromo-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 103244670
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-2-ylpropanoate?
The IUPAC name of methyl 2-thiophen-2-ylpropanoate (CID 12819459) is methyl 2-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 2-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 2-thiophen-2-ylpropanoate is COC(=O)C(C)c1cccs1.
What is the InChIKey of methyl 2-thiophen-2-ylpropanoate?
The InChIKey is FASSXLPWQJKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6(8(9)10-2)7-4-3-5-11-7/h3-6H,1-2H3.
What are the key properties of methyl 2-thiophen-2-ylpropanoate?
methyl 2-thiophen-2-ylpropanoate has a molecular weight of 170.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-2-ylpropanoate is sourced from PubChem (CID 12819459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).