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95453-54-6 | 2,4-Dimethylthiazole-5-carbaldehyde
CAS No: 95453-54-6 Catalog No: AG003FUR MDL No:MFCD03407320
Product Description
Catalog Number:
AG003FUR
Chemical Name:
2,4-Dimethylthiazole-5-carbaldehyde
CAS Number:
95453-54-6
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD03407320
IUPAC Name:
2,4-dimethyl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChI Key:
XAHWXDLKIYXDCK-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1C)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 5-(4-Chloro-phen-yl)-3-(2,4-dimethyl-thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline. | Acta crystallographica. Section E, Structure reports online 20100501 |
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