PD150606

Chemical Information
(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid is an 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). It has a role as an apoptosis inhibitor and a calpain inhibitor. It is a member of cinnamic acids, an organoiodine compound and a thioenol. It is functionally related to a trans-cinnamic acid.
| CAS Number | 179528-45-1 |
| PubChem CID | 9839500 |
| IUPAC Name | (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid |
| Molecular Formula | C9H7IO2S |
| Molecular Weight | 306.12 |
| XLogP | 2.9 |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 220 |
| Property | Value |
|---|---|
| Molecular Weight | 306.12 |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 305.92115 |
| Monoisotopic Mass | 305.92115 |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 220 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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