Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester

Base Information

• Chemical Name: Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester
• CAS No.: 118743-12-7
• Molecular Formula: C12H12O2S
• DSSTox Substance ID: DTXSID20384975
• Wikidata: Q82177475
• Mol file: 118743-12-7.mol

Synonyms:Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester;118743-12-7;methyl 2-(5-methyl-1-benzothiophen-3-yl)acetate;Maybridge3_004329;SCHEMBL9314600;DTXSID20384975;ZXKVFSLMPZWEKJ-UHFFFAOYSA-N;HMS1443E17;CCG-251691;IDI1_015716;methyl 5-methyl-3-benzo[b]thienylacetate

Chemical Property of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.05580079
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC=C2CC(=O)OC