{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid

Base Information

• Chemical Name: {[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid
• CAS No.: 131817-93-1
• Molecular Formula: C14H15NO2S
• NSC Number: 731231
• DSSTox Substance ID: DTXSID00354237
• Wikidata: Q82132267
• ChEMBL ID: CHEMBL386313
• Mol file: 131817-93-1.mol

Synonyms:131817-93-1;{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid;2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid;Interchim compound 56;CBMicro_038314;ChemDiv2_000618;Oprea1_159453;Oprea1_564740;CHEMBL386313;SCHEMBL9744356;BDBM11994;DTXSID00354237;DASVXRJADIYRNJ-UHFFFAOYSA-N;HMS1370M02;NSC731231;STL302399;AKOS000100942;CCG-106257;NSC-731231;BIM-0038342.P001;CS-0117920;FT-0704800;SR-01000430219;SR-01000430219-1;2-((4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)thio)acetic acid;2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-phenylthio]-acetic acid;2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid

Chemical Property of {[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.08234989
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=C(C=C2)SCC(=O)O)C