Methyl 4-Methylthiazole-5-carboxylate - CAS 81569-44-0
Catalog: |
BB036676 |
Product Name: |
Methyl 4-Methylthiazole-5-carboxylate |
CAS: |
81569-44-0 |
Synonyms: |
4-methyl-5-thiazolecarboxylic acid methyl ester; methyl 4-methyl-1,3-thiazole-5-carboxylate |
IUPAC Name: | methyl 4-methyl-1,3-thiazole-5-carboxylate |
Description: | Methyl 4-Methylthiazole-5-carboxylate (CAS# 81569-44-0) is a useful research chemical. |
Molecular Weight: | 157.19 |
Molecular Formula: | C6H7NO2S |
Canonical SMILES: | CC1=C(SC=N1)C(=O)OC |
InChI: | InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)10-3-7-4/h3H,1-2H3 |
InChI Key: | RRCLLMUIJYXSGZ-UHFFFAOYSA-N |
Boiling Point: | 221.3 °C at 760 mmHg |
Density: | 1.244 g/cm3 |
MDL: | MFCD00129998 |
LogP: | 1.23810 |
Publication Number | Title | Priority Date |
AU-2017301488-A1 | Pantetheine derivatives for the treatment of neurologic disorders | 20160725 |
EP-3487863-A1 | Pantetheine derivatives for the treatment of neurologic disorders | 20160725 |
US-2019337971-A1 | Pantetheine derivatives for the treatment of neurologic disorders | 20160725 |
WO-2018022529-A1 | Pantetheine derivatives for the treatment of neurologic disorders | 20160725 |
AU-2016366977-A1 | Cyclic phosphates and cyclic phosphoramidates for the treatment of neurologic disorders | 20151208 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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