CHEBI:130910 - (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid

ChEBI IDCHEBI:130910
ChEBI Name(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid
Stars
ASCII Name(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid
DefinitionAn organoiodine compound that is acrylic acid in which the vinylic hydrogens at positions 2 and 3 are replaced by mercapto and 4-iodophenyl groups respectively (the Z geoisomer).
Last Modified20 April 2016
DownloadsMolfile
FormulaC9H7IO2S
Net Charge0
Average Mass306.124
Monoisotopic Mass305.92115
SMILESO=C(O)/C(S)=C/c1ccc(I)cc1
InChIInChI=1S/C9H7IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-
InChIKeyDJCVSFWGKYHMKH-YVMONPNESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
calpain inhibitor  An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of any calpain.
ChEBI Ontology
Outgoing Relation(s)
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) has functional parent trans-cinnamic acid (CHEBI:35697)
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) has role apoptosis inhibitor (CHEBI:68494)
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) has role calpain inhibitor (CHEBI:82824)
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) is a cinnamic acids (CHEBI:23252)
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) is a organoiodine compound (CHEBI:37142)
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid (CHEBI:130910) is a thioenol (CHEBI:59722)
IUPAC Name 
(2Z )-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid
Synonyms  Source
PD 150606ChEBI
PD150606ChEBI
PD-150606ChemIDplus
PD-150,606ChEBI
PD 150,606ChEBI
3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acidChemIDplus
Registry NumbersSources
Reaxys:10069045Reaxys
CAS:179528-45-1ChemIDplus
Citations