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Home > Imidazoles > 438545-36-9
438545-36-9 | 2-(1H-IMIDAZOL-2-YL)-THIAZOLE
CAS No: 438545-36-9 Catalog No: AG00DFOG MDL No:
Product Description
Catalog Number:
AG00DFOG
Chemical Name:
2-(1H-IMIDAZOL-2-YL)-THIAZOLE
CAS Number:
438545-36-9
Molecular Formula:
C6H5N3S
Molecular Weight:
151.1890
IUPAC Name:
2-(1H-imidazol-2-yl)-1,3-thiazole
InChI:
InChI=1S/C6H5N3S/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)
InChI Key:
VQWJQJWRWJGSHN-UHFFFAOYSA-N
SMILES:
c1csc(n1)c1[nH]ccn1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.187g/mol
Monoisotopic Mass:
151.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Theoretical study of one-, two-, and three-photon absorption properties for a series of Y-shaped molecules. | The Journal of chemical physics 20060114 |
| Y-shaped two-photon absorbing molecules with an imidazole-thiazole core. | Chemical communications (Cambridge, England) 20040521 |
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