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Structure

6-Methylbenzo[b]thiophene-2-carboxylic acid methyl ester

CAS
82787-72-2
Catalog Number
ACM82787722
Category
Other Products
Molecular Weight
206.260900 [g/mol]
Molecular Formula
C11H10O2S

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Specification

Synonyms
SureCN2250510, AGN-PC-00NE73, CTK5F0068, AG-H-31162, Benzo[b]thiophene-2-carboxylic acid, 6-methyl-, methyl ester, 6-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 82787-72-2
IUPAC Name
methyl 6-methyl-1-benzothiophene-2-carboxylate
Canonical SMILES
CC1=CC2=C(C=C1)C=C(S2)C(=O)OC
InChI Key
IEQZYPPKTCXONS-UHFFFAOYSA-N
Boiling Point
322.3ºC at 760 mmHg
Flash Point
148.7ºC
Density
1.233g/cm³
Exact Mass
206.04000
H-Bond Acceptor
3
H-Bond Donor
0

Upstream Synthesis Route 1

  • 2365-48-2
  • 146137-80-6
  • 82787-72-2

Reference: [1]Tetrahedron Letters,1992,vol. 33,p. 7499 - 7502
[2]Journal of Medicinal Chemistry,2007,vol. 50,p. 4793 - 4807

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