bmse000848 2-Thiophenecarboxylic acid at BMRB

2-Thiophenecarboxylic acid

2-Thienylcarboxylic acid; 2-Thiophenic acid; 2-Carboxythiophene; 2-Thenoic acid; Thiophene-2-carboxylate; .alpha.-Thiophenecarboxylic acid; alpha-Thiophenecarboxylic acid; 2-Thiophenecarboxylic acid; 2-TCA

Molecular Formula: C5 H4 O2 S
Natural Isotopic Abundance Mass: 128.14906
Mono-Isotopic Molecular Masses: C12N14: 127.9932000626; C13N14: 133.0099742516; C12N15: 127.9932000626; C13N15: 133.0099742516

2-Thiophenecarboxylic acid

InCHi String:
InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

canonical and isomeric SMILES:
C1=CSC(=C1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
thiophene-2-carboxylic acid

PUBCHEM iupac TRADITIONAL NAME
2-thenoic acid

PUBCHEM iupac CAS NAME
2-thiophenecarboxylic acid

PubChem Substance (SID):   126596888   24900123   38329611
PubChem Compound (CID):   10700
KEGG: Compound ID   T32603_ALDRICH
CAS Registry IDs:   527-72-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 527-72-0   MMCD cq_19443   Beilstein Registry Number 1780537   MDL number MFCD00005437   Sigma-Aldrich T32603_ALDRICH   ChEBI CHEBI:788749   BindingDB 50324678   ChemIDplus 000527720   ChemSpider 11232245   EINECS 208-423-4   Beilstein Handbook Reference 5-18-06-00158   NIST 783709003

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.