2,5-Dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid

Base Information

• Chemical Name: 2,5-Dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid
• CAS No.: 306936-14-1
• Molecular Formula: C12H13 N O2 S
• Molecular Weight: 235.3
• Hs Code.: 2934999090
• European Community (EC) Number: 850-825-2
• DSSTox Substance ID: DTXSID20371264
• Wikidata: Q82158548
• ChEMBL ID: CHEMBL5079688
• Mol file: 306936-14-1.mol

Synonyms:306936-14-1;2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid;2,5-DIMETHYL-1-(2-THIENYLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID;2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid;2,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylic acid;2,5-Dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxylic acid;2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid;Maybridge1_008501;2,5-dimethyl-1-(thien-2-ylmethyl)-1H-pyrrole-3-carboxylic acid;Oprea1_831912;CHEMBL5079688;SCHEMBL15987441;HMS565K09;DTXSID20371264;CCG-50004;MFCD01567217;AKOS001171474;SB63624;MS-22106;CS-0234977;FT-0610418;EN300-15129;A820540;SR-01000639414-1;BRD-K42525621-001-01-8;Z119967278;2,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylicacid;2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic acid, AldrichCPR

Chemical Property of 2,5-Dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.12E-07mmHg at 25°C
• Melting Point: 184 °C
• Refractive Index: 1.622
• Boiling Point: 408.3ºC at 760 mmHg
• Flash Point: 200.8ºC
• PSA: 70.47000
• Density: 1.25g/cm3
• LogP: 2.91290
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.06669983
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O
• Uses: 2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic Acid is a reagent used in the preparation of substituted hydroxamic acids as inhibitors of HDAC6.