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3364-80-5 | Thiazole-4-carboxaldehyde
CAS No: 3364-80-5 Catalog No: AG007CT9 MDL No:MFCD00626896
Product Description
Catalog Number:
AG007CT9
Chemical Name:
Thiazole-4-carboxaldehyde
CAS Number:
3364-80-5
Molecular Formula:
C4H3NOS
Molecular Weight:
113.1377
MDL Number:
MFCD00626896
IUPAC Name:
1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C4H3NOS/c6-1-4-2-7-3-5-4/h1-3H
InChI Key:
WRFKSVINLIQRKF-UHFFFAOYSA-N
SMILES:
O=Cc1cscn1
Properties
Complexity:
76.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.994g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.134g/mol
Monoisotopic Mass:
112.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing. | Nature chemistry 20111201 |
| Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-like protease based on phthalhydrazide ketones or heteroaromatic esters. | Journal of medicinal chemistry 20070419 |
| A catch-and-release strategy for the combinatorial synthesis of 4-acylamino-1,3-thiazoles as potential CDK5 inhibitors. | Bioorganic & medicinal chemistry letters 20031020 |
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