Methyl 7-methyl-1-benzothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 7-methyl-1-benzothiophene-2-carboxylate
• CAS No.: 3751-50-6
• Molecular Formula: C₁₁H₁₀O₂S
• Molecular Weight: 206.265
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90546104
• Wikidata: Q82423810
• Mol file: 3751-50-6.mol

Synonyms:3751-50-6;Methyl 7-methylbenzo[b]thiophene-2-carboxylate;METHYL 7-METHYL-1-BENZOTHIOPHENE-2-CARBOXYLATE;SCHEMBL15384380;DTXSID90546104;HEYOAODQNLWZPY-UHFFFAOYSA-N;7-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLICACIDMETHYLESTER

Chemical Property of Methyl 7-methyl-1-benzothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000281mmHg at 25°C
• Refractive Index: 1.624
• Boiling Point: 322.3°C at 760 mmHg
• Flash Point: 148.7°C
• PSA: 54.54000
• Density: 1.233g/cm³
• LogP: 2.99630
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.04015073
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

7-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C=C(S2)C(=O)OC

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