3-(4-Methyl-1,3-thiazol-5-yl)propanoic acid - CAS 6469-32-5
Catalog: |
BB032534 |
Product Name: |
3-(4-Methyl-1,3-thiazol-5-yl)propanoic acid |
CAS: |
6469-32-5 |
Synonyms: |
3-(4-methyl-1,3-thiazol-5-yl)propanoic acid |
IUPAC Name: | 3-(4-methyl-1,3-thiazol-5-yl)propanoic acid |
Description: | 3-(4-Methyl-1,3-thiazol-5-yl)propanoic acid (CAS# 6469-32-5) is a useful research chemical. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CC1=C(SC=N1)CCC(=O)O |
InChI: | InChI=1S/C7H9NO2S/c1-5-6(11-4-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10) |
InChI Key: | HPMBMJNAPIPXFK-UHFFFAOYSA-N |
Boiling Point: | 323.5 °C at 760 mmHg |
Density: | 1.293 g/cm3 |
MDL: | MFCD05864549 |
LogP: | 1.46870 |
Publication Number | Title | Priority Date |
WO-2021062030-A1 | Diterpenoid compounds that act on protein kinase c (pkc) | 20190924 |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
US-10703733-B2 | MCL-1 inhibitors | 20180514 |
US-2019352271-A1 | Mcl-1 inhibitors | 20180514 |
WO-2019222112-A1 | Mcl-1 inhibitors | 20180514 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0353997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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