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Chemical structure of 3-thio-Pheneacrylic Acid methyl ester

GC42314

3-thio-Pheneacrylic Acid methyl ester

Also known as methyl (E)-3-thiophen-3-ylprop-2-enoate

3-Thiopheneacrylic acid methyl ester is a synthetic intermediate useful for pharmaceutical synthesis

ChemicalCAS135835-43-7MW168.2FormulaC8H8O2S
CAS number
135835-43-7
Molecular weight
168.2
Formula
C8H8O2S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS (pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
ZBUKIESAKFXOHF-NSCUHMNNSA-N
Catalogue number
GC42314
Brand
GLPBIO
Computed properties PubChem CID 5372373 · XLogP 2 · TPSA 54.5 Ų · H-bond donors 0
XLogP
2
TPSA
54.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11

SMILES COC(=O)/C=C/C1=CSC=C1

Computed descriptors from PubChem (CID 5372373), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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