6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Base Information

• Chemical Name: 6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
• CAS No.: 438213-69-5
• Molecular Formula: C10H12O2S
• Molecular Weight: 196.27
• Hs Code.: 2934999090
• European Community (EC) Number: 833-307-0
• DSSTox Substance ID: DTXSID50406311
• Mol file: 438213-69-5.mol

Synonyms:438213-69-5;6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid;MFCD03296469;6-Methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid;ChemDiv3_011119;DTXSID50406311;HMS1504J09;BBL015148;STK414923;AKOS000114829;AKOS016042097;CCG-139558;IDI1_028677;NS-01948;FT-0677679;EN300-00864;BRD-A23213994-001-01-5;Z56848165;6-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylic acid;6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid, AldrichCPR

Chemical Property of 6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.75E-05mmHg at 25°C
• Boiling Point: 349.5°C at 760 mmHg
• Flash Point: 165.2°C
• PSA: 65.54000
• Density: 1.24g/cm³
• LogP: 2.57110
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

98%Min ^*data from raw suppliers

6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2=C(C1)SC=C2C(=O)O