Cas no 114686-12-3 (Benzo[b]thiophene-6-carboxylicacid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-)

Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-, is a heterocyclic compound featuring a benzo[b]thiophene core functionalized with a carboxylic acid group and an imidazole-substituted methylene moiety. This structure imparts unique reactivity and potential as an intermediate in pharmaceutical and agrochemical synthesis. The presence of both carboxylic acid and imidazole groups enhances its versatility in forming derivatives or metal complexes, making it valuable for catalytic and coordination chemistry applications. Its fused ring system contributes to stability while allowing for further functionalization. The compound is particularly useful in medicinal chemistry for designing bioactive molecules due to its balanced lipophilicity and hydrogen-bonding capacity. Proper handling under inert conditions is recommended to preserve its integrity.
Benzo[b]thiophene-6-carboxylicacid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)- structure
114686-12-3 structure
Product Name:Benzo[b]thiophene-6-carboxylicacid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
CAS No:114686-12-3
MF:C13H12N2O2S
MW:260.311581611633
CID:191470
PubChem ID:65922
Update Time:2025-10-29

Benzo[b]thiophene-6-carboxylicacid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-6-carboxylicacid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
    • 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
    • 2-(1h-imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
    • 2-(1H-Imidazol-1-ylmethyl)-4,5-dihydrobenzo(b)thiophene-6-carboxylic acid
    • 4,5-dihydro-2-(1-imidazolyl)methylthianaphthene-6-carboxylic acid
    • 4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid
    • Benzo[b]thiophene-6-carboxylicacid,4,5-dihydro-2-(1H-imidazol-1-ylmethyl)
    • Imitrodast
    • Imitrodast [INN]
    • UNII-JCQ5G1KFHN
    • NS00122951
    • 2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophene-6-carboxylic acid
    • Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
    • Q27281443
    • DTXSID70150829
    • 114686-12-3
    • JCQ5G1KFHN
    • BDBM50018179
    • CHEMBL22542
    • Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
    • SCHEMBL166460
    • 4,5-DIHYDRO-2-(IMIDAZOL-1-YLMETHYL)BENZO(.BETA.)THIOPHENE-6-CARBOXYLIC ACID
    • imitrodastum
    • DTXCID0073320
    • HY-105114
    • TS-09516
    • CS-0025039
    • 4,5-DIHYDRO-2-(IMIDAZOL-1-YLMETHYL)BENZO(BETA)THIOPHENE-6-CARBOXYLIC ACID
    • Inchi： 1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
    • InChI Key： KRBSZXUPPSXPAN-UHFFFAOYSA-N
    • SMILES： S1C(CN2C=NC=C2)=CC2=C1C=C(C(=O)O)CC2

Computed Properties

  • Exact Mass: 260.06200
  • Monoisotopic Mass: 260.062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 372
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.7
  • Topological Polar Surface Area: 83.4A^2

Experimental Properties

  • Density: 1.43
  • Boiling Point: 494.6°C at 760 mmHg
  • Flash Point: 252.9°C
  • Refractive Index: 1.718
  • PSA: 83.36000
  • LogP: 2.40710

Benzo[b]thiophene-6-carboxylicacid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AA19304-1mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
1mg
 $193.00 2024-04-20
A2B Chem LLC
AA19304-5mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
5mg
 $440.00 2024-04-20
A2B Chem LLC
AA19304-10mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
10mg
 $620.00 2024-04-20
A2B Chem LLC
AA19304-25mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
25mg
 $920.00 2024-04-20
A2B Chem LLC
AA19304-50mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
50mg
 $1250.00 2024-04-20
A2B Chem LLC
AA19304-100mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
100mg
 $1670.00 2024-04-20
A2B Chem LLC
AA19304-500mg
Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
 114686-12-3 95%
500mg
 $3313.00 2024-04-20

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